4-amino-7-chloro-N-phenyl-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-3-carboxamide

C21H21ClN6O2 — CID 137412204

IUPAC4-amino-7-chloro-N-phenyl-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-3-carboxamide
SMILESC=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3ccccc3)c3c(N)ncc(Cl)c32)C1
InChIInChI=1S/C21H21ClN6O2/c1-2-16(29)27-10-6-9-14(12-27)28-19-15(22)11-24-20(23)17(19)18(26-28)21(30)25-13-7-4-3-5-8-13/h2-5,7-8,11,14H,1,6,9-10,12H2,(H2,23,24)(H,25,30)/t14-/m1/s1
InChIKeyRHVWJIRAUMDIKE-CQSZACIVSA-N
MW424.89 g/mol
LogP3.27
Rot. Bonds4

About 4-amino-7-chloro-N-phenyl-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-3-carboxamide

4-amino-7-chloro-N-phenyl-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 137412204) has the molecular formula C21H21ClN6O2 and a molecular weight of 424.89 g/mol. Its IUPAC name is 4-amino-7-chloro-N-phenyl-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-7-chloro-N-phenyl-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-3-carboxamide
PubChem CID137412204
Molecular FormulaC21H21ClN6O2
Molecular Weight424.89 g/mol
Exact Mass424.14
IUPAC Name4-amino-7-chloro-N-phenyl-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-3-carboxamide
SMILESC=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3ccccc3)c3c(N)ncc(Cl)c32)C1
InChIInChI=1S/C21H21ClN6O2/c1-2-16(29)27-10-6-9-14(12-27)28-19-15(22)11-24-20(23)17(19)18(26-28)21(30)25-13-7-4-3-5-8-13/h2-5,7-8,11,14H,1,6,9-10,12H2,(H2,23,24)(H,25,30)/t14-/m1/s1
InChIKeyRHVWJIRAUMDIKE-CQSZACIVSA-N
XLogP3.27
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-amino-7-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridine-3-carboxamide
CID 146608416
4-[4-amino-7-methyl-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide
CID 146524125
4-[4-amino-7-chloro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-N-pyridin-2-ylbenzamide
CID 134521503
(3R)-3-[4-amino-7-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)pyrazolo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 146524198
N-[4-[4-amino-7-bromo-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]phenyl]benzamide
CID 146524190
4-[4-amino-7-chloro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,5-c]pyridin-3-yl]-3-methoxy-N-pyridin-2-ylbenzamide
CID 146524150
4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-7-(1H-pyrazol-4-yl)pyrazolo[4,5-c]pyridin-3-yl]-N-phenylbenzamide
CID 146524015
4-amino-N-(2-chloro-4-hydroxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 130276919
[4-[[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidine-3-carbonyl]amino]phenyl] N,N-dimethylcarbamate
CID 130277047
1-[(3R)-3-[4-amino-3-(4-anilinophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 159753157
4-amino-N-[4-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 170206782
4-[4-[4-amino-7-chloro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]phenoxy]pyridine-3-carbonitrile
CID 134521416

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-chloro-N-phenyl-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of 4-amino-7-chloro-N-phenyl-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-3-carboxamide (CID 137412204) is 4-amino-7-chloro-N-phenyl-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-7-chloro-N-phenyl-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for 4-amino-7-chloro-N-phenyl-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-3-carboxamide is C=CC(=O)N1CCC[C@@H](n2nc(C(=O)Nc3ccccc3)c3c(N)ncc(Cl)c32)C1.
What is the InChIKey of 4-amino-7-chloro-N-phenyl-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is RHVWJIRAUMDIKE-CQSZACIVSA-N. The full InChI is InChI=1S/C21H21ClN6O2/c1-2-16(29)27-10-6-9-14(12-27)28-19-15(22)11-24-20(23)17(19)18(26-28)21(30)25-13-7-4-3-5-8-13/h2-5,7-8,11,14H,1,6,9-10,12H2,(H2,23,24)(H,25,30)/t14-/m1/s1.
What are the key properties of 4-amino-7-chloro-N-phenyl-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-3-carboxamide?
4-amino-7-chloro-N-phenyl-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 424.89 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-chloro-N-phenyl-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 137412204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).