6-chloro-4-(3-hydroxypyrrolidin-1-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide

C19H20ClN5O3 — CID 175429716

IUPAC6-chloro-4-(3-hydroxypyrrolidin-1-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCOc1ccc(Cn2cc3c(N4CCC(O)C4)nc(Cl)c(C(N)=O)c3n2)cc1
InChIInChI=1S/C19H20ClN5O3/c1-28-13-4-2-11(3-5-13)8-25-10-14-16(23-25)15(18(21)27)17(20)22-19(14)24-7-6-12(26)9-24/h2-5,10,12,26H,6-9H2,1H3,(H2,21,27)
InChIKeyCHPSMINLBUVJDD-UHFFFAOYSA-N
MW401.85 g/mol
LogP1.81
Rot. Bonds5

About 6-chloro-4-(3-hydroxypyrrolidin-1-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide

6-chloro-4-(3-hydroxypyrrolidin-1-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 175429716) has the molecular formula C19H20ClN5O3 and a molecular weight of 401.85 g/mol. Its IUPAC name is 6-chloro-4-(3-hydroxypyrrolidin-1-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name6-chloro-4-(3-hydroxypyrrolidin-1-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID175429716
Molecular FormulaC19H20ClN5O3
Molecular Weight401.85 g/mol
Exact Mass401.13
IUPAC Name6-chloro-4-(3-hydroxypyrrolidin-1-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCOc1ccc(Cn2cc3c(N4CCC(O)C4)nc(Cl)c(C(N)=O)c3n2)cc1
InChIInChI=1S/C19H20ClN5O3/c1-28-13-4-2-11(3-5-13)8-25-10-14-16(23-25)15(18(21)27)17(20)22-19(14)24-7-6-12(26)9-24/h2-5,10,12,26H,6-9H2,1H3,(H2,21,27)
InChIKeyCHPSMINLBUVJDD-UHFFFAOYSA-N
XLogP1.81
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(3-hydroxypyrrolidin-1-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide
CID 175816517
[4-[amino-[(4-methoxyphenyl)methyl]amino]-2-chloro-6-(3-hydroxypyrrolidin-1-yl)pyrimidin-5-yl]-methylazanium
CID 163633727
(3S)-3-hydroxy-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 124855487
1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71648335
1-[4-[[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methyl]piperidin-1-yl]ethanone
CID 145071423
1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 75504045
[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] acetate
CID 155160735
(3S,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 46944572
(2S)-2-hydroxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 129489219
N-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]carbamate
CID 86740910
1-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-N,N-dimethylpiperidin-4-amine
CID 141188332
1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 140665359

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(3-hydroxypyrrolidin-1-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of 6-chloro-4-(3-hydroxypyrrolidin-1-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide (CID 175429716) is 6-chloro-4-(3-hydroxypyrrolidin-1-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 6-chloro-4-(3-hydroxypyrrolidin-1-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for 6-chloro-4-(3-hydroxypyrrolidin-1-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide is COc1ccc(Cn2cc3c(N4CCC(O)C4)nc(Cl)c(C(N)=O)c3n2)cc1.
What is the InChIKey of 6-chloro-4-(3-hydroxypyrrolidin-1-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is CHPSMINLBUVJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3/c1-28-13-4-2-11(3-5-13)8-25-10-14-16(23-25)15(18(21)27)17(20)22-19(14)24-7-6-12(26)9-24/h2-5,10,12,26H,6-9H2,1H3,(H2,21,27).
What are the key properties of 6-chloro-4-(3-hydroxypyrrolidin-1-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide?
6-chloro-4-(3-hydroxypyrrolidin-1-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 401.85 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(3-hydroxypyrrolidin-1-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 175429716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).