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

C24H20ClN7O2 — CID 134178993

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccc(=O)[nH]c12
InChIInChI=1S/C24H20ClN7O2/c1-13-15(3-6-20(26)29-13)10-28-24(34)23-22-19(5-7-21(33)30-22)32(31-23)12-14-2-4-18-16(8-14)9-17(25)11-27-18/h2-9,11H,10,12H2,1H3,(H2,26,29)(H,28,34)(H,30,33)
InChIKeySUSGOGCPZRQBIA-UHFFFAOYSA-N
MW473.92 g/mol
LogP3.19
Rot. Bonds5

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

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide (PubChem CID 134178993) has the molecular formula C24H20ClN7O2 and a molecular weight of 473.92 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide
PubChem CID134178993
Molecular FormulaC24H20ClN7O2
Molecular Weight473.92 g/mol
Exact Mass473.14
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccc(=O)[nH]c12
InChIInChI=1S/C24H20ClN7O2/c1-13-15(3-6-20(26)29-13)10-28-24(34)23-22-19(5-7-21(33)30-22)32(31-23)12-14-2-4-18-16(8-14)9-17(25)11-27-18/h2-9,11H,10,12H2,1H3,(H2,26,29)(H,28,34)(H,30,33)
InChIKeySUSGOGCPZRQBIA-UHFFFAOYSA-N
XLogP3.19
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.92
LogP ≤ 53.19
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-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide (CID 134178993) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide is Cc1nc(N)ccc1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccc(=O)[nH]c12.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide?
The InChIKey is SUSGOGCPZRQBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN7O2/c1-13-15(3-6-20(26)29-13)10-28-24(34)23-22-19(5-7-21(33)30-22)32(31-23)12-14-2-4-18-16(8-14)9-17(25)11-27-18/h2-9,11H,10,12H2,1H3,(H2,26,29)(H,28,34)(H,30,33).
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide has a molecular weight of 473.92 g/mol, XLogP of 3.19, 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-methyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrazolo[4,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 134178993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).