1-[(5-chloro-2-pyridinyl)methyl]-N-[(1S)-2-hydroxycyclohexyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide

C21H23ClN4O2 — CID 138672333

IUPAC1-[(5-chloro-2-pyridinyl)methyl]-N-[(1S)-2-hydroxycyclohexyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCc1ccnc2c(C(=O)N[C@H]3CCCCC3O)cn(Cc3ccc(Cl)cn3)c12
InChIInChI=1S/C21H23ClN4O2/c1-13-8-9-23-19-16(21(28)25-17-4-2-3-5-18(17)27)12-26(20(13)19)11-15-7-6-14(22)10-24-15/h6-10,12,17-18,27H,2-5,11H2,1H3,(H,25,28)/t17-,18?/m0/s1
InChIKeyMWRWFKJIZZLRHV-ZENAZSQFSA-N
MW398.89 g/mol
LogP3.47
Rot. Bonds4

About 1-[(5-chloro-2-pyridinyl)methyl]-N-[(1S)-2-hydroxycyclohexyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide

1-[(5-chloro-2-pyridinyl)methyl]-N-[(1S)-2-hydroxycyclohexyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 138672333) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 1-[(5-chloro-2-pyridinyl)methyl]-N-[(1S)-2-hydroxycyclohexyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-chloro-2-pyridinyl)methyl]-N-[(1S)-2-hydroxycyclohexyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID138672333
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name1-[(5-chloro-2-pyridinyl)methyl]-N-[(1S)-2-hydroxycyclohexyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCc1ccnc2c(C(=O)N[C@H]3CCCCC3O)cn(Cc3ccc(Cl)cn3)c12
InChIInChI=1S/C21H23ClN4O2/c1-13-8-9-23-19-16(21(28)25-17-4-2-3-5-18(17)27)12-26(20(13)19)11-15-7-6-14(22)10-24-15/h6-10,12,17-18,27H,2-5,11H2,1H3,(H,25,28)/t17-,18?/m0/s1
InChIKeyMWRWFKJIZZLRHV-ZENAZSQFSA-N
XLogP3.47
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,3-difluorophenyl)methyl]-N-[(1S)-2-hydroxycyclohexyl]-7-methoxypyrrolo[3,2-b]pyridine-3-carboxamide
CID 138672994
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-2-carboxamide
CID 104927278
4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-7-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 121482851
1-[(4-bromophenyl)methyl]-N-(2-hydroxycyclohexyl)pyrrolo[3,2-b]pyridine-3-carboxamide
CID 123709235
N-[(1S,2S)-2-hydroxycyclohexyl]-6-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-oxo-1,6-naphthyridine-8-carboxamide
CID 162772225
7-chloro-N-[(3R)-3-hydroxyoxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 122498302
N-(2-hydroxycyclohexyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 123495470
N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
CID 104927400
2-chloro-N-(2-hydroxycycloheptyl)furan-3-carboxamide
CID 106687172
1-[(2,3-difluoro-4-pyridinyl)methyl]-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide
CID 135312875
N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxamide
CID 119602881
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-pyridinyl)methyl]-N-[(1S)-2-hydroxycyclohexyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 1-[(5-chloro-2-pyridinyl)methyl]-N-[(1S)-2-hydroxycyclohexyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide (CID 138672333) is 1-[(5-chloro-2-pyridinyl)methyl]-N-[(1S)-2-hydroxycyclohexyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(5-chloro-2-pyridinyl)methyl]-N-[(1S)-2-hydroxycyclohexyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 1-[(5-chloro-2-pyridinyl)methyl]-N-[(1S)-2-hydroxycyclohexyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide is Cc1ccnc2c(C(=O)N[C@H]3CCCCC3O)cn(Cc3ccc(Cl)cn3)c12.
What is the InChIKey of 1-[(5-chloro-2-pyridinyl)methyl]-N-[(1S)-2-hydroxycyclohexyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is MWRWFKJIZZLRHV-ZENAZSQFSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-13-8-9-23-19-16(21(28)25-17-4-2-3-5-18(17)27)12-26(20(13)19)11-15-7-6-14(22)10-24-15/h6-10,12,17-18,27H,2-5,11H2,1H3,(H,25,28)/t17-,18?/m0/s1.
What are the key properties of 1-[(5-chloro-2-pyridinyl)methyl]-N-[(1S)-2-hydroxycyclohexyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
1-[(5-chloro-2-pyridinyl)methyl]-N-[(1S)-2-hydroxycyclohexyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 398.89 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-pyridinyl)methyl]-N-[(1S)-2-hydroxycyclohexyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 138672333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).