4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(1H-indazol-6-yl)pyridine-3-carboxamide

C23H19N7O3 — CID 139238085

IUPAC4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(1H-indazol-6-yl)pyridine-3-carboxamide
SMILESCOc1cc2ncnc(Nc3ccncc3C(=O)Nc3ccc4cn[nH]c4c3)c2cc1OC
InChIInChI=1S/C23H19N7O3/c1-32-20-8-15-19(9-21(20)33-2)25-12-26-22(15)29-17-5-6-24-11-16(17)23(31)28-14-4-3-13-10-27-30-18(13)7-14/h3-12H,1-2H3,(H,27,30)(H,28,31)(H,24,25,26,29)
InChIKeyKKEQLUMGKWWPRX-UHFFFAOYSA-N
MW441.45 g/mol
LogP3.91
Rot. Bonds6

About 4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(1H-indazol-6-yl)pyridine-3-carboxamide

4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(1H-indazol-6-yl)pyridine-3-carboxamide (PubChem CID 139238085) has the molecular formula C23H19N7O3 and a molecular weight of 441.45 g/mol. Its IUPAC name is 4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(1H-indazol-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(1H-indazol-6-yl)pyridine-3-carboxamide
PubChem CID139238085
Molecular FormulaC23H19N7O3
Molecular Weight441.45 g/mol
Exact Mass441.15
IUPAC Name4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(1H-indazol-6-yl)pyridine-3-carboxamide
SMILESCOc1cc2ncnc(Nc3ccncc3C(=O)Nc3ccc4cn[nH]c4c3)c2cc1OC
InChIInChI=1S/C23H19N7O3/c1-32-20-8-15-19(9-21(20)33-2)25-12-26-22(15)29-17-5-6-24-11-16(17)23(31)28-14-4-3-13-10-27-30-18(13)7-14/h3-12H,1-2H3,(H,27,30)(H,28,31)(H,24,25,26,29)
InChIKeyKKEQLUMGKWWPRX-UHFFFAOYSA-N
XLogP3.91
TPSA126.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(1H-indazol-6-yl)pyridine-3-carboxamide?
The IUPAC name of 4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(1H-indazol-6-yl)pyridine-3-carboxamide (CID 139238085) is 4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(1H-indazol-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(1H-indazol-6-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(1H-indazol-6-yl)pyridine-3-carboxamide is COc1cc2ncnc(Nc3ccncc3C(=O)Nc3ccc4cn[nH]c4c3)c2cc1OC.
What is the InChIKey of 4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(1H-indazol-6-yl)pyridine-3-carboxamide?
The InChIKey is KKEQLUMGKWWPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O3/c1-32-20-8-15-19(9-21(20)33-2)25-12-26-22(15)29-17-5-6-24-11-16(17)23(31)28-14-4-3-13-10-27-30-18(13)7-14/h3-12H,1-2H3,(H,27,30)(H,28,31)(H,24,25,26,29).
What are the key properties of 4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(1H-indazol-6-yl)pyridine-3-carboxamide?
4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(1H-indazol-6-yl)pyridine-3-carboxamide has a molecular weight of 441.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(1H-indazol-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 139238085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).