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

C26H23ClN6O — CID 134178680

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1c2ccccc2nn1Cc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/C26H23ClN6O/c1-15-9-24(28)31-16(2)21(15)13-30-26(34)25-20-5-3-4-6-23(20)32-33(25)14-17-7-8-22-18(10-17)11-19(27)12-29-22/h3-12H,13-14H2,1-2H3,(H2,28,31)(H,30,34)
InChIKeyORCDLEWLNKYCIX-UHFFFAOYSA-N
MW470.96 g/mol
LogP4.81
Rot. Bonds5

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide (PubChem CID 134178680) has the molecular formula C26H23ClN6O and a molecular weight of 470.96 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide
PubChem CID134178680
Molecular FormulaC26H23ClN6O
Molecular Weight470.96 g/mol
Exact Mass470.16
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1c2ccccc2nn1Cc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/C26H23ClN6O/c1-15-9-24(28)31-16(2)21(15)13-30-26(34)25-20-5-3-4-6-23(20)32-33(25)14-17-7-8-22-18(10-17)11-19(27)12-29-22/h3-12H,13-14H2,1-2H3,(H2,28,31)(H,30,34)
InChIKeyORCDLEWLNKYCIX-UHFFFAOYSA-N
XLogP4.81
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.96
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide (CID 134178680) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1c2ccccc2nn1Cc1ccc2ncc(Cl)cc2c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide?
The InChIKey is ORCDLEWLNKYCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O/c1-15-9-24(28)31-16(2)21(15)13-30-26(34)25-20-5-3-4-6-23(20)32-33(25)14-17-7-8-22-18(10-17)11-19(27)12-29-22/h3-12H,13-14H2,1-2H3,(H2,28,31)(H,30,34).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide has a molecular weight of 470.96 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide is sourced from PubChem (CID 134178680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).