3-[4-[2-[6-[6-[(1-cyclopropylindol-6-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindazol-3-yl]ethyl]morpholin-2-yl]-N-[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]-1-ethylindol-6-amine

C60H65N15O3 — CID 145062345

IUPAC3-[4-[2-[6-[6-[(1-cyclopropylindol-6-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindazol-3-yl]ethyl]morpholin-2-yl]-N-[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]-1-ethylindol-6-amine
SMILESCCn1cc(C2CN(CCc3nn(C)c4cc(-c5cc(Nc6ccc7ccn(C8CC8)c7c6)nc(N6CCOCC6)n5)ccc34)CCO2)c2ccc(Nc3cc(-c4ccc5c(C)nn(C)c5c4)nc(N4CCOCC4)n3)cc21
InChIInChI=1S/C60H65N15O3/c1-5-72-36-48(46-15-10-43(33-55(46)72)62-58-34-50(63-59(66-58)73-21-25-76-26-22-73)40-7-13-45-38(2)67-69(3)53(45)30-40)56-37-71(20-29-78-56)18-17-49-47-14-8-41(31-54(47)70(4)68-49)51-35-57(65-60(64-51)74-23-27-77-28-24-74)61-42-9-6-39-16-19-75(44-11-12-44)52(39)32-42/h6-10,13-16,19,30-36,44,56H,5,11-12,17-18,20-29,37H2,1-4H3,(H,61,64,65)(H,62,63,66)
InChIKeyXBXPPWPFNCKCFQ-UHFFFAOYSA-N
MW1044.28 g/mol
LogP9.72
Rot. Bonds14

About 3-[4-[2-[6-[6-[(1-cyclopropylindol-6-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindazol-3-yl]ethyl]morpholin-2-yl]-N-[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]-1-ethylindol-6-amine

3-[4-[2-[6-[6-[(1-cyclopropylindol-6-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindazol-3-yl]ethyl]morpholin-2-yl]-N-[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]-1-ethylindol-6-amine (PubChem CID 145062345) has the molecular formula C60H65N15O3 and a molecular weight of 1044.28 g/mol. Its IUPAC name is 3-[4-[2-[6-[6-[(1-cyclopropylindol-6-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindazol-3-yl]ethyl]morpholin-2-yl]-N-[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]-1-ethylindol-6-amine.

Molecular Properties

Compound Name3-[4-[2-[6-[6-[(1-cyclopropylindol-6-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindazol-3-yl]ethyl]morpholin-2-yl]-N-[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]-1-ethylindol-6-amine
PubChem CID145062345
Molecular FormulaC60H65N15O3
Molecular Weight1044.28 g/mol
Exact Mass1043.54
IUPAC Name3-[4-[2-[6-[6-[(1-cyclopropylindol-6-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindazol-3-yl]ethyl]morpholin-2-yl]-N-[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]-1-ethylindol-6-amine
SMILESCCn1cc(C2CN(CCc3nn(C)c4cc(-c5cc(Nc6ccc7ccn(C8CC8)c7c6)nc(N6CCOCC6)n5)ccc34)CCO2)c2ccc(Nc3cc(-c4ccc5c(C)nn(C)c5c4)nc(N4CCOCC4)n3)cc21
InChIInChI=1S/C60H65N15O3/c1-5-72-36-48(46-15-10-43(33-55(46)72)62-58-34-50(63-59(66-58)73-21-25-76-26-22-73)40-7-13-45-38(2)67-69(3)53(45)30-40)56-37-71(20-29-78-56)18-17-49-47-14-8-41(31-54(47)70(4)68-49)51-35-57(65-60(64-51)74-23-27-77-28-24-74)61-42-9-6-39-16-19-75(44-11-12-44)52(39)32-42/h6-10,13-16,19,30-36,44,56H,5,11-12,17-18,20-29,37H2,1-4H3,(H,61,64,65)(H,62,63,66)
InChIKeyXBXPPWPFNCKCFQ-UHFFFAOYSA-N
XLogP9.72
TPSA158.53 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001044.28
LogP ≤ 59.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze 3-[4-[2-[6-[6-[(1-cyclopropylindol-6-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindazol-3-yl]ethyl]morpholin-2-yl]-N-[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]-1-ethylindol-6-amine with MolForge

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Launch Full Analysis

Related Compounds

(6R)-2-[[3-fluoro-4-[2-methyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinazolin-5-yl]phenyl]methyl]-4-[1-(2-fluoro-4-methylphenyl)-7-methylisoquinolin-3-yl]-6-(1-methylpyrazol-4-yl)morpholine
CID 157045223
1,3-dimethyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine
CID 121272097
1-cyclopropyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine
CID 121272154
1-methyl-N-[6-[1-methyl-3-(3-pyrrolidin-1-ylpropyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine
CID 121272344
1-methyl-N-[2-[2-[1-methyl-3-(3-pyrrolidin-1-ylpropyl)indazol-6-yl]morpholin-4-yl]pyrimidin-4-yl]indol-6-amine
CID 121272345
Tert-butyl 6-[[2-[2-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]morpholin-4-yl]pyrimidin-4-yl]amino]indazole-1-carboxylate
CID 121272347
1,2-dimethyl-N-[2-[2-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]morpholin-4-yl]pyrimidin-4-yl]indol-6-amine
CID 121272456
1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine
CID 121276074
7-[4-[[3-(5-ethyl-1-methylpyrazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino]oxan-2-yl]-3-(4-morpholin-4-ylpyrimidin-2-yl)-N-propan-2-yl-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 123611205
N,N-dimethyl-1-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]methanamine
CID 137099120
N,N-diethyl-3-[(16E)-14-oxa-5,7,20,29-tetrazapentacyclo[18.5.2.12,6.18,12.023,27]nonacosa-1(26),2(29),3,5,8(28),9,11,16,21,23(27),24-undecaen-11-yl]propan-1-amine;(16Z)-11-methyl-14-oxa-5,7,19,28-tetrazapentacyclo[17.5.2.12,6.18,12.022,26]octacosa-1(25),2(28),3,5,8(27),9,11,16,20,22(26),23-undecaene;N-methyl-N-propylpropan-1-amine
CID 143673726
4-[6-[4-(4-Ethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;4-[6-[4-(4-methoxypiperidin-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrimidin-8-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline
CID 157055910

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[6-[6-[(1-cyclopropylindol-6-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindazol-3-yl]ethyl]morpholin-2-yl]-N-[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]-1-ethylindol-6-amine?
The IUPAC name of 3-[4-[2-[6-[6-[(1-cyclopropylindol-6-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindazol-3-yl]ethyl]morpholin-2-yl]-N-[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]-1-ethylindol-6-amine (CID 145062345) is 3-[4-[2-[6-[6-[(1-cyclopropylindol-6-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindazol-3-yl]ethyl]morpholin-2-yl]-N-[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]-1-ethylindol-6-amine.
What is the SMILES notation for 3-[4-[2-[6-[6-[(1-cyclopropylindol-6-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindazol-3-yl]ethyl]morpholin-2-yl]-N-[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]-1-ethylindol-6-amine?
The canonical SMILES for 3-[4-[2-[6-[6-[(1-cyclopropylindol-6-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindazol-3-yl]ethyl]morpholin-2-yl]-N-[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]-1-ethylindol-6-amine is CCn1cc(C2CN(CCc3nn(C)c4cc(-c5cc(Nc6ccc7ccn(C8CC8)c7c6)nc(N6CCOCC6)n5)ccc34)CCO2)c2ccc(Nc3cc(-c4ccc5c(C)nn(C)c5c4)nc(N4CCOCC4)n3)cc21.
What is the InChIKey of 3-[4-[2-[6-[6-[(1-cyclopropylindol-6-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindazol-3-yl]ethyl]morpholin-2-yl]-N-[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]-1-ethylindol-6-amine?
The InChIKey is XBXPPWPFNCKCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H65N15O3/c1-5-72-36-48(46-15-10-43(33-55(46)72)62-58-34-50(63-59(66-58)73-21-25-76-26-22-73)40-7-13-45-38(2)67-69(3)53(45)30-40)56-37-71(20-29-78-56)18-17-49-47-14-8-41(31-54(47)70(4)68-49)51-35-57(65-60(64-51)74-23-27-77-28-24-74)61-42-9-6-39-16-19-75(44-11-12-44)52(39)32-42/h6-10,13-16,19,30-36,44,56H,5,11-12,17-18,20-29,37H2,1-4H3,(H,61,64,65)(H,62,63,66).
What are the key properties of 3-[4-[2-[6-[6-[(1-cyclopropylindol-6-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindazol-3-yl]ethyl]morpholin-2-yl]-N-[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]-1-ethylindol-6-amine?
3-[4-[2-[6-[6-[(1-cyclopropylindol-6-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindazol-3-yl]ethyl]morpholin-2-yl]-N-[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]-1-ethylindol-6-amine has a molecular weight of 1044.28 g/mol, XLogP of 9.72, 14 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[6-[6-[(1-cyclopropylindol-6-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindazol-3-yl]ethyl]morpholin-2-yl]-N-[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]-1-ethylindol-6-amine is sourced from PubChem (CID 145062345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).