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

C25H21Cl2N7O — CID 134178824

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccnc(Cl)c12
InChIInChI=1S/C25H21Cl2N7O/c1-13-7-21(28)32-14(2)18(13)11-31-25(35)23-22-20(5-6-29-24(22)27)34(33-23)12-15-3-4-19-16(8-15)9-17(26)10-30-19/h3-10H,11-12H2,1-2H3,(H2,28,32)(H,31,35)
InChIKeyYVVUSFNKWIJDRO-UHFFFAOYSA-N
MW506.40 g/mol
LogP4.86
Rot. Bonds5

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 134178824) has the molecular formula C25H21Cl2N7O and a molecular weight of 506.40 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID134178824
Molecular FormulaC25H21Cl2N7O
Molecular Weight506.40 g/mol
Exact Mass505.12
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccnc(Cl)c12
InChIInChI=1S/C25H21Cl2N7O/c1-13-7-21(28)32-14(2)18(13)11-31-25(35)23-22-20(5-6-29-24(22)27)34(33-23)12-15-3-4-19-16(8-15)9-17(26)10-30-19/h3-10H,11-12H2,1-2H3,(H2,28,32)(H,31,35)
InChIKeyYVVUSFNKWIJDRO-UHFFFAOYSA-N
XLogP4.86
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.40
LogP ≤ 54.86
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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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide (CID 134178824) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2ccnc(Cl)c12.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is YVVUSFNKWIJDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N7O/c1-13-7-21(28)32-14(2)18(13)11-31-25(35)23-22-20(5-6-29-24(22)27)34(33-23)12-15-3-4-19-16(8-15)9-17(26)10-30-19/h3-10H,11-12H2,1-2H3,(H2,28,32)(H,31,35).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 506.40 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 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]-4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 134178824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).