1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-c]pyridine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine

C161H164N40O2S — CID 157306332

IUPAC1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-c]pyridine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine
SMILESCC(C)c1cnc(-c2ccc3ncsc3c2)nc1.CC(C)c1cnc(-c2cccc(C#N)c2)nc1.CC(C)c1cnc(-c2cccc(C(N)=O)c2)nc1.CC(C)c1cnc(-c2cccc3c2CC(=O)N3)nc1.CC(C)c1cnc(-c2ccccc2C#N)nc1.CC(C)c1cnc(-c2ccccn2)nc1.CC(C)c1cnc(-c2cccnc2)nc1.CC(C)c1cnc(-c2ccncc2)nc1.CC(C)c1cnc(-c2cncc3c2ccn3C)nc1.CC(C)c1cnc(-c2cncnc2)nc1.CC(C)c1cnc(-n2ccc3cccnc32)nc1.CC(C)c1cnc(-n2ncc3ccccc32)nc1
InChIInChI=1S/C15H16N4.C15H15N3O.2C14H14N4.C14H15N3O.C14H13N3S.2C14H13N3.3C12H13N3.C11H12N4/c1-10(2)11-6-17-15(18-7-11)13-8-16-9-14-12(13)4-5-19(14)3;1-9(2)10-7-16-15(17-8-10)11-4-3-5-13-12(11)6-14(19)18-13;1-10(2)12-8-16-14(17-9-12)18-7-5-11-4-3-6-15-13(11)18;1-10(2)12-7-15-14(16-8-12)18-13-6-4-3-5-11(13)9-17-18;1-9(2)12-7-16-14(17-8-12)11-5-3-4-10(6-11)13(15)18;1-9(2)11-6-15-14(16-7-11)10-3-4-12-13(5-10)18-8-17-12;1-10(2)13-8-16-14(17-9-13)12-5-3-4-11(6-12)7-15;1-10(2)12-8-16-14(17-9-12)13-6-4-3-5-11(13)7-15;1-9(2)11-7-14-12(15-8-11)10-3-5-13-6-4-10;1-9(2)11-7-14-12(15-8-11)10-4-3-5-13-6-10;1-9(2)10-7-14-12(15-8-10)11-5-3-4-6-13-11;1-8(2)9-5-14-11(15-6-9)10-3-12-7-13-4-10/h4-10H,1-3H3;3-5,7-9H,6H2,1-2H3,(H,18,19);2*3-10H,1-2H3;3-9H,1-2H3,(H2,15,18);3-9H,1-2H3;2*3-6,8-10H,1-2H3;3*3-9H,1-2H3;3-8H,1-2H3
InChIKeyBCNCKHJGXWGORT-UHFFFAOYSA-N
MW2723.43 g/mol
LogP34.36
Rot. Bonds25

About 1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-c]pyridine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine

1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-c]pyridine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine (PubChem CID 157306332) has the molecular formula C161H164N40O2S and a molecular weight of 2723.43 g/mol. Its IUPAC name is 1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-c]pyridine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-c]pyridine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine
PubChem CID157306332
Molecular FormulaC161H164N40O2S
Molecular Weight2723.43 g/mol
Exact Mass2721.37
IUPAC Name1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-c]pyridine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine
SMILESCC(C)c1cnc(-c2ccc3ncsc3c2)nc1.CC(C)c1cnc(-c2cccc(C#N)c2)nc1.CC(C)c1cnc(-c2cccc(C(N)=O)c2)nc1.CC(C)c1cnc(-c2cccc3c2CC(=O)N3)nc1.CC(C)c1cnc(-c2ccccc2C#N)nc1.CC(C)c1cnc(-c2ccccn2)nc1.CC(C)c1cnc(-c2cccnc2)nc1.CC(C)c1cnc(-c2ccncc2)nc1.CC(C)c1cnc(-c2cncc3c2ccn3C)nc1.CC(C)c1cnc(-c2cncnc2)nc1.CC(C)c1cnc(-n2ccc3cccnc32)nc1.CC(C)c1cnc(-n2ncc3ccccc32)nc1
InChIInChI=1S/C15H16N4.C15H15N3O.2C14H14N4.C14H15N3O.C14H13N3S.2C14H13N3.3C12H13N3.C11H12N4/c1-10(2)11-6-17-15(18-7-11)13-8-16-9-14-12(13)4-5-19(14)3;1-9(2)10-7-16-15(17-8-10)11-4-3-5-13-12(11)6-14(19)18-13;1-10(2)12-8-16-14(17-9-12)18-7-5-11-4-3-6-15-13(11)18;1-10(2)12-7-15-14(16-8-12)18-13-6-4-3-5-11(13)9-17-18;1-9(2)12-7-16-14(17-8-12)11-5-3-4-10(6-11)13(15)18;1-9(2)11-6-15-14(16-7-11)10-3-4-12-13(5-10)18-8-17-12;1-10(2)13-8-16-14(17-9-13)12-5-3-4-11(6-12)7-15;1-10(2)12-8-16-14(17-9-12)13-6-4-3-5-11(13)7-15;1-9(2)11-7-14-12(15-8-11)10-3-5-13-6-4-10;1-9(2)11-7-14-12(15-8-11)10-4-3-5-13-6-10;1-9(2)10-7-14-12(15-8-10)11-5-3-4-6-13-11;1-8(2)9-5-14-11(15-6-9)10-3-12-7-13-4-10/h4-10H,1-3H3;3-5,7-9H,6H2,1-2H3,(H,18,19);2*3-10H,1-2H3;3-9H,1-2H3,(H2,15,18);3-9H,1-2H3;2*3-6,8-10H,1-2H3;3*3-9H,1-2H3;3-8H,1-2H3
InChIKeyBCNCKHJGXWGORT-UHFFFAOYSA-N
XLogP34.36
TPSA559.93 Ų
H-Bond Donors2
H-Bond Acceptors41
Rotatable Bonds25
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002723.43
LogP ≤ 534.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1041

Analyze 1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-c]pyridine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-[[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluoroanilino]ethyl-methylamino]methyl]indazol-5-yl]pyridin-3-yl]cyclohexanecarboxamide
CID 145650626
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505536
2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505835
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[(1R,4R)-5-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505940
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidine-1-carbonyl]piperidin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515598
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515648
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[6-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515676
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[(3R,4S)-4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-fluoropiperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515687
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-fluoropiperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515747
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[(4S)-4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515847
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[6-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515877
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]piperidin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515884

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-c]pyridine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-c]pyridine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine (CID 157306332) is 1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-c]pyridine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-c]pyridine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-c]pyridine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine is CC(C)c1cnc(-c2ccc3ncsc3c2)nc1.CC(C)c1cnc(-c2cccc(C#N)c2)nc1.CC(C)c1cnc(-c2cccc(C(N)=O)c2)nc1.CC(C)c1cnc(-c2cccc3c2CC(=O)N3)nc1.CC(C)c1cnc(-c2ccccc2C#N)nc1.CC(C)c1cnc(-c2ccccn2)nc1.CC(C)c1cnc(-c2cccnc2)nc1.CC(C)c1cnc(-c2ccncc2)nc1.CC(C)c1cnc(-c2cncc3c2ccn3C)nc1.CC(C)c1cnc(-c2cncnc2)nc1.CC(C)c1cnc(-n2ccc3cccnc32)nc1.CC(C)c1cnc(-n2ncc3ccccc32)nc1.
What is the InChIKey of 1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-c]pyridine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is BCNCKHJGXWGORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4.C15H15N3O.2C14H14N4.C14H15N3O.C14H13N3S.2C14H13N3.3C12H13N3.C11H12N4/c1-10(2)11-6-17-15(18-7-11)13-8-16-9-14-12(13)4-5-19(14)3;1-9(2)10-7-16-15(17-8-10)11-4-3-5-13-12(11)6-14(19)18-13;1-10(2)12-8-16-14(17-9-12)18-7-5-11-4-3-6-15-13(11)18;1-10(2)12-7-15-14(16-8-12)18-13-6-4-3-5-11(13)9-17-18;1-9(2)12-7-16-14(17-8-12)11-5-3-4-10(6-11)13(15)18;1-9(2)11-6-15-14(16-7-11)10-3-4-12-13(5-10)18-8-17-12;1-10(2)13-8-16-14(17-9-13)12-5-3-4-11(6-12)7-15;1-10(2)12-8-16-14(17-9-12)13-6-4-3-5-11(13)7-15;1-9(2)11-7-14-12(15-8-11)10-3-5-13-6-4-10;1-9(2)11-7-14-12(15-8-11)10-4-3-5-13-6-10;1-9(2)10-7-14-12(15-8-10)11-5-3-4-6-13-11;1-8(2)9-5-14-11(15-6-9)10-3-12-7-13-4-10/h4-10H,1-3H3;3-5,7-9H,6H2,1-2H3,(H,18,19);2*3-10H,1-2H3;3-9H,1-2H3,(H2,15,18);3-9H,1-2H3;2*3-6,8-10H,1-2H3;3*3-9H,1-2H3;3-8H,1-2H3.
What are the key properties of 1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-c]pyridine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine?
1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-c]pyridine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 2723.43 g/mol, XLogP of 34.36, 25 rotatable bonds, 2 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-c]pyridine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157306332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).