7-(2-aminoethyl)-3-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-4-amine;4-amino-3-propan-2-ylfuro[3,2-c]pyridine-7-carbonitrile;2-(4-amino-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;7-(azetidin-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;benzyl N-[2-(4-amino-3-propan-2-ylfuro[3,2-c]pyridin-7-yl)ethyl]carbamate;1,3-di(propan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-ethyl-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;7-(methoxymethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(2-morpholin-4-ylethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(oxetan-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-piperidin-4-yl-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-propan-2-yl-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-4-amine

C151H206N52O8S — CID 157301335

IUPAC7-(2-aminoethyl)-3-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-4-amine;4-amino-3-propan-2-ylfuro[3,2-c]pyridine-7-carbonitrile;2-(4-amino-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;7-(azetidin-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;benzyl N-[2-(4-amino-3-propan-2-ylfuro[3,2-c]pyridin-7-yl)ethyl]carbamate;1,3-di(propan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-ethyl-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;7-(methoxymethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(2-morpholin-4-ylethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(oxetan-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-piperidin-4-yl-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-propan-2-yl-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-4-amine
SMILESCC(C)c1c[nH]c2c(CCN)cnc(N)c12.CC(C)c1cn(C2CCNCC2)c2ncnc(N)c12.CC(C)c1cn(C2CNC2)c2ncnc(N)c12.CC(C)c1cn(C2COC2)c2ncnc(N)c12.CC(C)c1cn(CCN2CCOCC2)c2ncnc(N)c12.CC(C)c1coc2c(C#N)cnc(N)c12.CC(C)c1coc2c(CCNC(=O)OCc3ccccc3)cnc(N)c12.CC(C)c1csc2c(-c3cn[nH]c3)cnc(N)c12.CC(C)c1nn(C(C)C)c2ncnc(N)c12.CC(C)c1nn(CCO)c2ncnc(N)c12.CCn1nc(C(C)C)c2c(N)ncnc21.COCn1cc(C(C)C)c2c(N)ncnc21
InChIInChI=1S/C20H23N3O3.C15H23N5O.C14H21N5.C13H14N4S.C12H17N5.C12H16N4O.C12H18N4.C11H17N5.C11H16N4O.C11H11N3O.C10H15N5O.C10H15N5/c1-13(2)16-12-25-18-15(10-23-19(21)17(16)18)8-9-22-20(24)26-11-14-6-4-3-5-7-14;1-11(2)12-9-20(4-3-19-5-7-21-8-6-19)15-13(12)14(16)17-10-18-15;1-9(2)11-7-19(10-3-5-16-6-4-10)14-12(11)13(15)17-8-18-14;1-7(2)10-6-18-12-9(8-3-16-17-4-8)5-15-13(14)11(10)12;1-7(2)9-5-17(8-3-14-4-8)12-10(9)11(13)15-6-16-12;1-7(2)9-3-16(8-4-17-5-8)12-10(9)11(13)14-6-15-12;1-7(2)9-6-15-11-8(3-4-13)5-16-12(14)10(9)11;1-6(2)9-8-10(12)13-5-14-11(8)16(15-9)7(3)4;1-7(2)8-4-15(6-16-3)11-9(8)10(12)13-5-14-11;1-6(2)8-5-15-10-7(3-12)4-14-11(13)9(8)10;1-6(2)8-7-9(11)12-5-13-10(7)15(14-8)3-4-16;1-4-15-10-7(8(14-15)6(2)3)9(11)12-5-13-10/h3-7,10,12-13H,8-9,11H2,1-2H3,(H2,21,23)(H,22,24);9-11H,3-8H2,1-2H3,(H2,16,17,18);7-10,16H,3-6H2,1-2H3,(H2,15,17,18);3-7H,1-2H3,(H2,14,15)(H,16,17);5-8,14H,3-4H2,1-2H3,(H2,13,15,16);3,6-8H,4-5H2,1-2H3,(H2,13,14,15);5-7,15H,3-4,13H2,1-2H3,(H2,14,16);5-7H,1-4H3,(H2,12,13,14);4-5,7H,6H2,1-3H3,(H2,12,13,14);4-6H,1-2H3,(H2,13,14);5-6,16H,3-4H2,1-2H3,(H2,11,12,13);5-6H,4H2,1-3H3,(H2,11,12,13)
InChIKeyBBXZTVFTJOZJIV-UHFFFAOYSA-N
MW2909.73 g/mol
LogP24.02
Rot. Bonds32

About 7-(2-aminoethyl)-3-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-4-amine;4-amino-3-propan-2-ylfuro[3,2-c]pyridine-7-carbonitrile;2-(4-amino-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;7-(azetidin-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;benzyl N-[2-(4-amino-3-propan-2-ylfuro[3,2-c]pyridin-7-yl)ethyl]carbamate;1,3-di(propan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-ethyl-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;7-(methoxymethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(2-morpholin-4-ylethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(oxetan-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-piperidin-4-yl-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-propan-2-yl-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-4-amine

7-(2-aminoethyl)-3-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-4-amine;4-amino-3-propan-2-ylfuro[3,2-c]pyridine-7-carbonitrile;2-(4-amino-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;7-(azetidin-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;benzyl N-[2-(4-amino-3-propan-2-ylfuro[3,2-c]pyridin-7-yl)ethyl]carbamate;1,3-di(propan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-ethyl-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;7-(methoxymethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(2-morpholin-4-ylethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(oxetan-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-piperidin-4-yl-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-propan-2-yl-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-4-amine (PubChem CID 157301335) has the molecular formula C151H206N52O8S and a molecular weight of 2909.73 g/mol. Its IUPAC name is 7-(2-aminoethyl)-3-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-4-amine;4-amino-3-propan-2-ylfuro[3,2-c]pyridine-7-carbonitrile;2-(4-amino-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;7-(azetidin-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;benzyl N-[2-(4-amino-3-propan-2-ylfuro[3,2-c]pyridin-7-yl)ethyl]carbamate;1,3-di(propan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-ethyl-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;7-(methoxymethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(2-morpholin-4-ylethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(oxetan-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-piperidin-4-yl-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-propan-2-yl-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name7-(2-aminoethyl)-3-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-4-amine;4-amino-3-propan-2-ylfuro[3,2-c]pyridine-7-carbonitrile;2-(4-amino-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;7-(azetidin-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;benzyl N-[2-(4-amino-3-propan-2-ylfuro[3,2-c]pyridin-7-yl)ethyl]carbamate;1,3-di(propan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-ethyl-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;7-(methoxymethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(2-morpholin-4-ylethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(oxetan-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-piperidin-4-yl-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-propan-2-yl-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-4-amine
PubChem CID157301335
Molecular FormulaC151H206N52O8S
Molecular Weight2909.73 g/mol
Exact Mass2907.70
IUPAC Name7-(2-aminoethyl)-3-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-4-amine;4-amino-3-propan-2-ylfuro[3,2-c]pyridine-7-carbonitrile;2-(4-amino-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;7-(azetidin-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;benzyl N-[2-(4-amino-3-propan-2-ylfuro[3,2-c]pyridin-7-yl)ethyl]carbamate;1,3-di(propan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-ethyl-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;7-(methoxymethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(2-morpholin-4-ylethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(oxetan-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-piperidin-4-yl-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-propan-2-yl-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-4-amine
SMILESCC(C)c1c[nH]c2c(CCN)cnc(N)c12.CC(C)c1cn(C2CCNCC2)c2ncnc(N)c12.CC(C)c1cn(C2CNC2)c2ncnc(N)c12.CC(C)c1cn(C2COC2)c2ncnc(N)c12.CC(C)c1cn(CCN2CCOCC2)c2ncnc(N)c12.CC(C)c1coc2c(C#N)cnc(N)c12.CC(C)c1coc2c(CCNC(=O)OCc3ccccc3)cnc(N)c12.CC(C)c1csc2c(-c3cn[nH]c3)cnc(N)c12.CC(C)c1nn(C(C)C)c2ncnc(N)c12.CC(C)c1nn(CCO)c2ncnc(N)c12.CCn1nc(C(C)C)c2c(N)ncnc21.COCn1cc(C(C)C)c2c(N)ncnc21
InChIInChI=1S/C20H23N3O3.C15H23N5O.C14H21N5.C13H14N4S.C12H17N5.C12H16N4O.C12H18N4.C11H17N5.C11H16N4O.C11H11N3O.C10H15N5O.C10H15N5/c1-13(2)16-12-25-18-15(10-23-19(21)17(16)18)8-9-22-20(24)26-11-14-6-4-3-5-7-14;1-11(2)12-9-20(4-3-19-5-7-21-8-6-19)15-13(12)14(16)17-10-18-15;1-9(2)11-7-19(10-3-5-16-6-4-10)14-12(11)13(15)17-8-18-14;1-7(2)10-6-18-12-9(8-3-16-17-4-8)5-15-13(14)11(10)12;1-7(2)9-5-17(8-3-14-4-8)12-10(9)11(13)15-6-16-12;1-7(2)9-3-16(8-4-17-5-8)12-10(9)11(13)14-6-15-12;1-7(2)9-6-15-11-8(3-4-13)5-16-12(14)10(9)11;1-6(2)9-8-10(12)13-5-14-11(8)16(15-9)7(3)4;1-7(2)8-4-15(6-16-3)11-9(8)10(12)13-5-14-11;1-6(2)8-5-15-10-7(3-12)4-14-11(13)9(8)10;1-6(2)8-7-9(11)12-5-13-10(7)15(14-8)3-4-16;1-4-15-10-7(8(14-15)6(2)3)9(11)12-5-13-10/h3-7,10,12-13H,8-9,11H2,1-2H3,(H2,21,23)(H,22,24);9-11H,3-8H2,1-2H3,(H2,16,17,18);7-10,16H,3-6H2,1-2H3,(H2,15,17,18);3-7H,1-2H3,(H2,14,15)(H,16,17);5-8,14H,3-4H2,1-2H3,(H2,13,15,16);3,6-8H,4-5H2,1-2H3,(H2,13,14,15);5-7,15H,3-4,13H2,1-2H3,(H2,14,16);5-7H,1-4H3,(H2,12,13,14);4-5,7H,6H2,1-3H3,(H2,12,13,14);4-6H,1-2H3,(H2,13,14);5-6,16H,3-4H2,1-2H3,(H2,11,12,13);5-6H,4H2,1-3H3,(H2,11,12,13)
InChIKeyBBXZTVFTJOZJIV-UHFFFAOYSA-N
XLogP24.02
TPSA882.26 Ų
H-Bond Donors19
H-Bond Acceptors58
Rotatable Bonds32
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002909.73
LogP ≤ 524.02
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1058

Analyze 7-(2-aminoethyl)-3-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-4-amine;4-amino-3-propan-2-ylfuro[3,2-c]pyridine-7-carbonitrile;2-(4-amino-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;7-(azetidin-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;benzyl N-[2-(4-amino-3-propan-2-ylfuro[3,2-c]pyridin-7-yl)ethyl]carbamate;1,3-di(propan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-ethyl-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;7-(methoxymethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(2-morpholin-4-ylethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(oxetan-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-piperidin-4-yl-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-propan-2-yl-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethyl)-3-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-4-amine;4-amino-3-propan-2-ylfuro[3,2-c]pyridine-7-carbonitrile;2-(4-amino-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;7-(azetidin-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;benzyl N-[2-(4-amino-3-propan-2-ylfuro[3,2-c]pyridin-7-yl)ethyl]carbamate;1,3-di(propan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-ethyl-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;7-(methoxymethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(2-morpholin-4-ylethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(oxetan-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-piperidin-4-yl-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-propan-2-yl-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of 7-(2-aminoethyl)-3-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-4-amine;4-amino-3-propan-2-ylfuro[3,2-c]pyridine-7-carbonitrile;2-(4-amino-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;7-(azetidin-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;benzyl N-[2-(4-amino-3-propan-2-ylfuro[3,2-c]pyridin-7-yl)ethyl]carbamate;1,3-di(propan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-ethyl-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;7-(methoxymethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(2-morpholin-4-ylethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(oxetan-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-piperidin-4-yl-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-propan-2-yl-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-4-amine (CID 157301335) is 7-(2-aminoethyl)-3-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-4-amine;4-amino-3-propan-2-ylfuro[3,2-c]pyridine-7-carbonitrile;2-(4-amino-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;7-(azetidin-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;benzyl N-[2-(4-amino-3-propan-2-ylfuro[3,2-c]pyridin-7-yl)ethyl]carbamate;1,3-di(propan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-ethyl-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;7-(methoxymethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(2-morpholin-4-ylethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(oxetan-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-piperidin-4-yl-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-propan-2-yl-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 7-(2-aminoethyl)-3-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-4-amine;4-amino-3-propan-2-ylfuro[3,2-c]pyridine-7-carbonitrile;2-(4-amino-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;7-(azetidin-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;benzyl N-[2-(4-amino-3-propan-2-ylfuro[3,2-c]pyridin-7-yl)ethyl]carbamate;1,3-di(propan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-ethyl-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;7-(methoxymethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(2-morpholin-4-ylethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(oxetan-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-piperidin-4-yl-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-propan-2-yl-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 7-(2-aminoethyl)-3-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-4-amine;4-amino-3-propan-2-ylfuro[3,2-c]pyridine-7-carbonitrile;2-(4-amino-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;7-(azetidin-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;benzyl N-[2-(4-amino-3-propan-2-ylfuro[3,2-c]pyridin-7-yl)ethyl]carbamate;1,3-di(propan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-ethyl-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;7-(methoxymethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(2-morpholin-4-ylethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(oxetan-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-piperidin-4-yl-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-propan-2-yl-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-4-amine is CC(C)c1c[nH]c2c(CCN)cnc(N)c12.CC(C)c1cn(C2CCNCC2)c2ncnc(N)c12.CC(C)c1cn(C2CNC2)c2ncnc(N)c12.CC(C)c1cn(C2COC2)c2ncnc(N)c12.CC(C)c1cn(CCN2CCOCC2)c2ncnc(N)c12.CC(C)c1coc2c(C#N)cnc(N)c12.CC(C)c1coc2c(CCNC(=O)OCc3ccccc3)cnc(N)c12.CC(C)c1csc2c(-c3cn[nH]c3)cnc(N)c12.CC(C)c1nn(C(C)C)c2ncnc(N)c12.CC(C)c1nn(CCO)c2ncnc(N)c12.CCn1nc(C(C)C)c2c(N)ncnc21.COCn1cc(C(C)C)c2c(N)ncnc21.
What is the InChIKey of 7-(2-aminoethyl)-3-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-4-amine;4-amino-3-propan-2-ylfuro[3,2-c]pyridine-7-carbonitrile;2-(4-amino-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;7-(azetidin-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;benzyl N-[2-(4-amino-3-propan-2-ylfuro[3,2-c]pyridin-7-yl)ethyl]carbamate;1,3-di(propan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-ethyl-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;7-(methoxymethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(2-morpholin-4-ylethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(oxetan-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-piperidin-4-yl-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-propan-2-yl-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is BBXZTVFTJOZJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3.C15H23N5O.C14H21N5.C13H14N4S.C12H17N5.C12H16N4O.C12H18N4.C11H17N5.C11H16N4O.C11H11N3O.C10H15N5O.C10H15N5/c1-13(2)16-12-25-18-15(10-23-19(21)17(16)18)8-9-22-20(24)26-11-14-6-4-3-5-7-14;1-11(2)12-9-20(4-3-19-5-7-21-8-6-19)15-13(12)14(16)17-10-18-15;1-9(2)11-7-19(10-3-5-16-6-4-10)14-12(11)13(15)17-8-18-14;1-7(2)10-6-18-12-9(8-3-16-17-4-8)5-15-13(14)11(10)12;1-7(2)9-5-17(8-3-14-4-8)12-10(9)11(13)15-6-16-12;1-7(2)9-3-16(8-4-17-5-8)12-10(9)11(13)14-6-15-12;1-7(2)9-6-15-11-8(3-4-13)5-16-12(14)10(9)11;1-6(2)9-8-10(12)13-5-14-11(8)16(15-9)7(3)4;1-7(2)8-4-15(6-16-3)11-9(8)10(12)13-5-14-11;1-6(2)8-5-15-10-7(3-12)4-14-11(13)9(8)10;1-6(2)8-7-9(11)12-5-13-10(7)15(14-8)3-4-16;1-4-15-10-7(8(14-15)6(2)3)9(11)12-5-13-10/h3-7,10,12-13H,8-9,11H2,1-2H3,(H2,21,23)(H,22,24);9-11H,3-8H2,1-2H3,(H2,16,17,18);7-10,16H,3-6H2,1-2H3,(H2,15,17,18);3-7H,1-2H3,(H2,14,15)(H,16,17);5-8,14H,3-4H2,1-2H3,(H2,13,15,16);3,6-8H,4-5H2,1-2H3,(H2,13,14,15);5-7,15H,3-4,13H2,1-2H3,(H2,14,16);5-7H,1-4H3,(H2,12,13,14);4-5,7H,6H2,1-3H3,(H2,12,13,14);4-6H,1-2H3,(H2,13,14);5-6,16H,3-4H2,1-2H3,(H2,11,12,13);5-6H,4H2,1-3H3,(H2,11,12,13).
What are the key properties of 7-(2-aminoethyl)-3-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-4-amine;4-amino-3-propan-2-ylfuro[3,2-c]pyridine-7-carbonitrile;2-(4-amino-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;7-(azetidin-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;benzyl N-[2-(4-amino-3-propan-2-ylfuro[3,2-c]pyridin-7-yl)ethyl]carbamate;1,3-di(propan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-ethyl-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;7-(methoxymethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(2-morpholin-4-ylethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(oxetan-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-piperidin-4-yl-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-propan-2-yl-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-4-amine?
7-(2-aminoethyl)-3-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-4-amine;4-amino-3-propan-2-ylfuro[3,2-c]pyridine-7-carbonitrile;2-(4-amino-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;7-(azetidin-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;benzyl N-[2-(4-amino-3-propan-2-ylfuro[3,2-c]pyridin-7-yl)ethyl]carbamate;1,3-di(propan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-ethyl-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;7-(methoxymethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(2-morpholin-4-ylethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(oxetan-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-piperidin-4-yl-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-propan-2-yl-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 2909.73 g/mol, XLogP of 24.02, 32 rotatable bonds, 19 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethyl)-3-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-4-amine;4-amino-3-propan-2-ylfuro[3,2-c]pyridine-7-carbonitrile;2-(4-amino-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;7-(azetidin-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;benzyl N-[2-(4-amino-3-propan-2-ylfuro[3,2-c]pyridin-7-yl)ethyl]carbamate;1,3-di(propan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-ethyl-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;7-(methoxymethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(2-morpholin-4-ylethyl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-(oxetan-3-yl)-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-piperidin-4-yl-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-propan-2-yl-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 157301335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).