7-chloro-N-[(3R)-3-hydroxyoxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide

C21H22ClN3O4 — CID 122498302

IUPAC7-chloro-N-[(3R)-3-hydroxyoxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)NC3CCOC[C@@H]3O)c3nccc(Cl)c32)cc1
InChIInChI=1S/C21H22ClN3O4/c1-28-14-4-2-13(3-5-14)10-25-11-15(19-20(25)16(22)6-8-23-19)21(27)24-17-7-9-29-12-18(17)26/h2-6,8,11,17-18,26H,7,9-10,12H2,1H3,(H,24,27)/t17?,18-/m0/s1
InChIKeyQYFCAOCEFIAYJP-ZVAWYAOSSA-N
MW415.88 g/mol
LogP2.63
Rot. Bonds5

About 7-chloro-N-[(3R)-3-hydroxyoxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide

7-chloro-N-[(3R)-3-hydroxyoxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 122498302) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is 7-chloro-N-[(3R)-3-hydroxyoxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[(3R)-3-hydroxyoxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID122498302
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC Name7-chloro-N-[(3R)-3-hydroxyoxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)NC3CCOC[C@@H]3O)c3nccc(Cl)c32)cc1
InChIInChI=1S/C21H22ClN3O4/c1-28-14-4-2-13(3-5-14)10-25-11-15(19-20(25)16(22)6-8-23-19)21(27)24-17-7-9-29-12-18(17)26/h2-6,8,11,17-18,26H,7,9-10,12H2,1H3,(H,24,27)/t17?,18-/m0/s1
InChIKeyQYFCAOCEFIAYJP-ZVAWYAOSSA-N
XLogP2.63
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-chloro-N-[(3R)-3-hydroxyoxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide with MolForge

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Related Compounds

1-[(6-chloro-3-pyridinyl)methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 121464527
N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methoxy-1H-indole-2-carboxamide
CID 91762188
5,8-difluoro-N-[(1S)-2-hydroxycyclopentyl]-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 155106723
4-chloro-N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxybenzamide
CID 91777707
N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxyquinoline-4-carboxamide
CID 91785243
1-[(5-chloro-2-pyridinyl)methyl]-N-[(1S)-2-hydroxycyclohexyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide
CID 138672333
2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide
CID 91765639
1-[(2,3-difluorophenyl)methyl]-N-[(1S)-2-hydroxycyclohexyl]-7-methoxypyrrolo[3,2-b]pyridine-3-carboxamide
CID 138672994
N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 91768649
3-[(2-chloro-4-pyridinyl)methyl]-8-fluoro-N-(3-hydroxyoxan-4-yl)indolizine-1-carboxamide
CID 138560533
3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide
CID 91781029
1-[(4-bromophenyl)methyl]-N-(2-hydroxycyclohexyl)pyrrolo[3,2-b]pyridine-3-carboxamide
CID 123709235

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(3R)-3-hydroxyoxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 7-chloro-N-[(3R)-3-hydroxyoxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (CID 122498302) is 7-chloro-N-[(3R)-3-hydroxyoxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 7-chloro-N-[(3R)-3-hydroxyoxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 7-chloro-N-[(3R)-3-hydroxyoxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is COc1ccc(Cn2cc(C(=O)NC3CCOC[C@@H]3O)c3nccc(Cl)c32)cc1.
What is the InChIKey of 7-chloro-N-[(3R)-3-hydroxyoxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is QYFCAOCEFIAYJP-ZVAWYAOSSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c1-28-14-4-2-13(3-5-14)10-25-11-15(19-20(25)16(22)6-8-23-19)21(27)24-17-7-9-29-12-18(17)26/h2-6,8,11,17-18,26H,7,9-10,12H2,1H3,(H,24,27)/t17?,18-/m0/s1.
What are the key properties of 7-chloro-N-[(3R)-3-hydroxyoxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
7-chloro-N-[(3R)-3-hydroxyoxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 415.88 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(3R)-3-hydroxyoxan-4-yl]-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 122498302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).