4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide

C26H24ClN7O — CID 134178009

IUPAC4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2cccc(N)c12
InChIInChI=1S/C26H24ClN7O/c1-14-8-23(29)32-15(2)19(14)12-31-26(35)25-24-20(28)4-3-5-22(24)34(33-25)13-16-6-7-21-17(9-16)10-18(27)11-30-21/h3-11H,12-13,28H2,1-2H3,(H2,29,32)(H,31,35)
InChIKeyNZUOVEDIDJEFJS-UHFFFAOYSA-N
MW485.98 g/mol
LogP4.39
Rot. Bonds5

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

4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide (PubChem CID 134178009) has the molecular formula C26H24ClN7O and a molecular weight of 485.98 g/mol. Its IUPAC name is 4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide
PubChem CID134178009
Molecular FormulaC26H24ClN7O
Molecular Weight485.98 g/mol
Exact Mass485.17
IUPAC Name4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2cccc(N)c12
InChIInChI=1S/C26H24ClN7O/c1-14-8-23(29)32-15(2)19(14)12-31-26(35)25-24-20(28)4-3-5-22(24)34(33-25)13-16-6-7-21-17(9-16)10-18(27)11-30-21/h3-11H,12-13,28H2,1-2H3,(H2,29,32)(H,31,35)
InChIKeyNZUOVEDIDJEFJS-UHFFFAOYSA-N
XLogP4.39
TPSA124.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.98
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide (CID 134178009) is 4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1nn(Cc2ccc3ncc(Cl)cc3c2)c2cccc(N)c12.
What is the InChIKey of 4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide?
The InChIKey is NZUOVEDIDJEFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN7O/c1-14-8-23(29)32-15(2)19(14)12-31-26(35)25-24-20(28)4-3-5-22(24)34(33-25)13-16-6-7-21-17(9-16)10-18(27)11-30-21/h3-11H,12-13,28H2,1-2H3,(H2,29,32)(H,31,35).
What are the key properties of 4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide?
4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide has a molecular weight of 485.98 g/mol, XLogP of 4.39, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide is sourced from PubChem (CID 134178009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).