4,6-dichloro-5-hydroxy-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-3-yl)pyridine-2-carboxamide

C17H16Cl2N6O2 — CID 170397876

IUPAC4,6-dichloro-5-hydroxy-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-3-yl)pyridine-2-carboxamide
SMILESCn1nc(NC(=O)c2cc(Cl)c(O)c(Cl)n2)c2cnc(N3CCCC3)cc21
InChIInChI=1S/C17H16Cl2N6O2/c1-24-12-7-13(25-4-2-3-5-25)20-8-9(12)16(23-24)22-17(27)11-6-10(18)14(26)15(19)21-11/h6-8,26H,2-5H2,1H3,(H,22,23,27)
InChIKeyRZVCRQHTMKMSTM-UHFFFAOYSA-N
MW407.26 g/mol
LogP3.23
Rot. Bonds3

About 4,6-dichloro-5-hydroxy-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-3-yl)pyridine-2-carboxamide

4,6-dichloro-5-hydroxy-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-3-yl)pyridine-2-carboxamide (PubChem CID 170397876) has the molecular formula C17H16Cl2N6O2 and a molecular weight of 407.26 g/mol. Its IUPAC name is 4,6-dichloro-5-hydroxy-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-5-hydroxy-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-3-yl)pyridine-2-carboxamide
PubChem CID170397876
Molecular FormulaC17H16Cl2N6O2
Molecular Weight407.26 g/mol
Exact Mass406.07
IUPAC Name4,6-dichloro-5-hydroxy-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-3-yl)pyridine-2-carboxamide
SMILESCn1nc(NC(=O)c2cc(Cl)c(O)c(Cl)n2)c2cnc(N3CCCC3)cc21
InChIInChI=1S/C17H16Cl2N6O2/c1-24-12-7-13(25-4-2-3-5-25)20-8-9(12)16(23-24)22-17(27)11-6-10(18)14(26)15(19)21-11/h6-8,26H,2-5H2,1H3,(H,22,23,27)
InChIKeyRZVCRQHTMKMSTM-UHFFFAOYSA-N
XLogP3.23
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 53.23
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

N-(1-methylindazol-3-yl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide
CID 136567478
N-[6-[(3R)-3-[(5-cyano-4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1-methylpyrazolo[4,3-c]pyridin-3-yl]prop-2-enamide
CID 168827414
N-(3,5-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274620
N-(2,6-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274621
2-bromo-N-[6-[(3R)-3-[(5-cyano-4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1-methylpyrazolo[4,3-c]pyridin-3-yl]butanamide
CID 168827162
5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109289329
N-(3-chloro-4-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362806
N-(3-chloro-2-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362803
6-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847704
6-(azepan-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112847676
2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363513
N-(4-chloro-2-methylphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145637

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-hydroxy-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-3-yl)pyridine-2-carboxamide?
The IUPAC name of 4,6-dichloro-5-hydroxy-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-3-yl)pyridine-2-carboxamide (CID 170397876) is 4,6-dichloro-5-hydroxy-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4,6-dichloro-5-hydroxy-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 4,6-dichloro-5-hydroxy-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-3-yl)pyridine-2-carboxamide is Cn1nc(NC(=O)c2cc(Cl)c(O)c(Cl)n2)c2cnc(N3CCCC3)cc21.
What is the InChIKey of 4,6-dichloro-5-hydroxy-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-3-yl)pyridine-2-carboxamide?
The InChIKey is RZVCRQHTMKMSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N6O2/c1-24-12-7-13(25-4-2-3-5-25)20-8-9(12)16(23-24)22-17(27)11-6-10(18)14(26)15(19)21-11/h6-8,26H,2-5H2,1H3,(H,22,23,27).
What are the key properties of 4,6-dichloro-5-hydroxy-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-3-yl)pyridine-2-carboxamide?
4,6-dichloro-5-hydroxy-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-3-yl)pyridine-2-carboxamide has a molecular weight of 407.26 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-hydroxy-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 170397876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).