4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine

C99H149ClN12O2S — CID 167687400

IUPAC4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine
SMILESCC(C)CC1CCCCC1.CC(C)CC[C@@H]1CCCN1.CC(C)Cc1cc(Cl)ccn1.CC(C)Cc1ccc2c(c1)CC(=O)N2.CC(C)Cc1ccc2c(c1)CN(C)C2=O.CC(C)Cc1cccc2[nH]ncc12.CC(C)Cc1ncccn1.CC(C)Cc1nccs1.CC(C)N1CCc2cccnc21.Cc1ccc(CC(C)C)nc1
InChIInChI=1S/C13H17NO.C12H15NO.C11H14N2.C10H14N2.C10H15N.C10H20.C9H12ClN.C9H19N.C8H12N2.C7H11NS/c1-9(2)6-10-4-5-12-11(7-10)8-14(3)13(12)15;1-8(2)5-9-3-4-11-10(6-9)7-12(14)13-11;1-8(2)6-9-4-3-5-11-10(9)7-12-13-11;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-8(2)6-10-5-4-9(3)7-11-10;1-9(2)8-10-6-4-3-5-7-10;1-7(2)5-9-6-8(10)3-4-11-9;1-8(2)5-6-9-4-3-7-10-9;1-7(2)6-8-9-4-3-5-10-8;1-6(2)5-7-8-3-4-9-7/h4-5,7,9H,6,8H2,1-3H3;3-4,6,8H,5,7H2,1-2H3,(H,13,14);3-5,7-8H,6H2,1-2H3,(H,12,13);3-4,6,8H,5,7H2,1-2H3;4-5,7-8H,6H2,1-3H3;9-10H,3-8H2,1-2H3;3-4,6-7H,5H2,1-2H3;8-10H,3-7H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,6H,5H2,1-2H3/t;;;;;;;9-;;/m.......0../s1
InChIKeyWKKMFMIPQWRLOR-NPONBJEVSA-N
MW1606.88 g/mol
LogP24.79
Rot. Bonds20

About 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine

4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine (PubChem CID 167687400) has the molecular formula C99H149ClN12O2S and a molecular weight of 1606.88 g/mol. Its IUPAC name is 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine
PubChem CID167687400
Molecular FormulaC99H149ClN12O2S
Molecular Weight1606.88 g/mol
Exact Mass1605.13
IUPAC Name4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine
SMILESCC(C)CC1CCCCC1.CC(C)CC[C@@H]1CCCN1.CC(C)Cc1cc(Cl)ccn1.CC(C)Cc1ccc2c(c1)CC(=O)N2.CC(C)Cc1ccc2c(c1)CN(C)C2=O.CC(C)Cc1cccc2[nH]ncc12.CC(C)Cc1ncccn1.CC(C)Cc1nccs1.CC(C)N1CCc2cccnc21.Cc1ccc(CC(C)C)nc1
InChIInChI=1S/C13H17NO.C12H15NO.C11H14N2.C10H14N2.C10H15N.C10H20.C9H12ClN.C9H19N.C8H12N2.C7H11NS/c1-9(2)6-10-4-5-12-11(7-10)8-14(3)13(12)15;1-8(2)5-9-3-4-11-10(6-9)7-12(14)13-11;1-8(2)6-9-4-3-5-11-10(9)7-12-13-11;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-8(2)6-10-5-4-9(3)7-11-10;1-9(2)8-10-6-4-3-5-7-10;1-7(2)5-9-6-8(10)3-4-11-9;1-8(2)5-6-9-4-3-7-10-9;1-7(2)6-8-9-4-3-5-10-8;1-6(2)5-7-8-3-4-9-7/h4-5,7,9H,6,8H2,1-3H3;3-4,6,8H,5,7H2,1-2H3,(H,13,14);3-5,7-8H,6H2,1-2H3,(H,12,13);3-4,6,8H,5,7H2,1-2H3;4-5,7-8H,6H2,1-3H3;9-10H,3-8H2,1-2H3;3-4,6-7H,5H2,1-2H3;8-10H,3-7H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,6H,5H2,1-2H3/t;;;;;;;9-;;/m.......0../s1
InChIKeyWKKMFMIPQWRLOR-NPONBJEVSA-N
XLogP24.79
TPSA170.70 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001606.88
LogP ≤ 524.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

1-butan-2-yl-6-[6-[4-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide
CID 172442981
6-[6-[4-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
CID 172446902
6-[6-[4-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethylindazole-4-carboxamide
CID 172454672
6-[6-[4-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
CID 172460756
6-[6-[4-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methylindazole-4-carboxamide
CID 172463286
(3,3-difluoroazetidin-1-yl)-[1-[1-[6-[4-[3-fluoro-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propan-2-yl]-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]indol-2-yl]methanone
CID 137387253
(3,3-difluoroazetidin-1-yl)-[1-[[1-methyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-2-(1,3-thiazol-2-yl)indol-4-yl]methyl]-6-[4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]indol-2-yl]methanone
CID 137387573
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-[3-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indazol-6-yl]-3,3-difluoropiperidin-1-yl]propanoyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515624
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)-1H-indazol-6-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515627
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)-1H-indazol-6-yl]-3,3-difluoropiperidin-1-yl]ethyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515954
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[3-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indazol-6-yl]-3,3-difluoropiperidin-1-yl]-3-oxopropyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515955

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine (CID 167687400) is 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine is CC(C)CC1CCCCC1.CC(C)CC[C@@H]1CCCN1.CC(C)Cc1cc(Cl)ccn1.CC(C)Cc1ccc2c(c1)CC(=O)N2.CC(C)Cc1ccc2c(c1)CN(C)C2=O.CC(C)Cc1cccc2[nH]ncc12.CC(C)Cc1ncccn1.CC(C)Cc1nccs1.CC(C)N1CCc2cccnc21.Cc1ccc(CC(C)C)nc1.
What is the InChIKey of 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is WKKMFMIPQWRLOR-NPONBJEVSA-N. The full InChI is InChI=1S/C13H17NO.C12H15NO.C11H14N2.C10H14N2.C10H15N.C10H20.C9H12ClN.C9H19N.C8H12N2.C7H11NS/c1-9(2)6-10-4-5-12-11(7-10)8-14(3)13(12)15;1-8(2)5-9-3-4-11-10(6-9)7-12(14)13-11;1-8(2)6-9-4-3-5-11-10(9)7-12-13-11;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-8(2)6-10-5-4-9(3)7-11-10;1-9(2)8-10-6-4-3-5-7-10;1-7(2)5-9-6-8(10)3-4-11-9;1-8(2)5-6-9-4-3-7-10-9;1-7(2)6-8-9-4-3-5-10-8;1-6(2)5-7-8-3-4-9-7/h4-5,7,9H,6,8H2,1-3H3;3-4,6,8H,5,7H2,1-2H3,(H,13,14);3-5,7-8H,6H2,1-2H3,(H,12,13);3-4,6,8H,5,7H2,1-2H3;4-5,7-8H,6H2,1-3H3;9-10H,3-8H2,1-2H3;3-4,6-7H,5H2,1-2H3;8-10H,3-7H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,6H,5H2,1-2H3/t;;;;;;;9-;;/m.......0../s1.
What are the key properties of 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine?
4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 1606.88 g/mol, XLogP of 24.79, 20 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methylpropyl)pyridine;(2R)-2-(3-methylbutyl)pyrrolidine;2-methyl-5-(2-methylpropyl)-3H-isoindol-1-one;5-methyl-2-(2-methylpropyl)pyridine;2-methylpropylcyclohexane;5-(2-methylpropyl)-1,3-dihydroindol-2-one;4-(2-methylpropyl)-1H-indazole;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 167687400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).