N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-pyrazolo[4,3-c]pyridine-3-carboxamide

C25H22ClN7O2 — CID 137301000

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2cc[nH]c(=O)c12
InChIInChI=1S/C25H22ClN7O2/c1-13-7-21(27)31-14(2)18(13)11-30-25(35)23-22-20(5-6-28-24(22)34)33(32-23)12-15-3-4-19-16(8-15)9-17(26)10-29-19/h3-10H,11-12H2,1-2H3,(H2,27,31)(H,28,34)(H,30,35)
InChIKeyJGZHQZLALCTIAI-UHFFFAOYSA-N
MW487.95 g/mol
LogP3.50
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 137301000) has the molecular formula C25H22ClN7O2 and a molecular weight of 487.95 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID137301000
Molecular FormulaC25H22ClN7O2
Molecular Weight487.95 g/mol
Exact Mass487.15
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2cc[nH]c(=O)c12
InChIInChI=1S/C25H22ClN7O2/c1-13-7-21(27)31-14(2)18(13)11-30-25(35)23-22-20(5-6-28-24(22)34)33(32-23)12-15-3-4-19-16(8-15)9-17(26)10-29-19/h3-10H,11-12H2,1-2H3,(H2,27,31)(H,28,34)(H,30,35)
InChIKeyJGZHQZLALCTIAI-UHFFFAOYSA-N
XLogP3.50
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.95
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 137301000) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2cc[nH]c(=O)c12.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is JGZHQZLALCTIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN7O2/c1-13-7-21(27)31-14(2)18(13)11-30-25(35)23-22-20(5-6-28-24(22)34)33(32-23)12-15-3-4-19-16(8-15)9-17(26)10-29-19/h3-10H,11-12H2,1-2H3,(H2,27,31)(H,28,34)(H,30,35).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 487.95 g/mol, XLogP of 3.50, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-5H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 137301000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).