2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluorophenyl)pyridine-3-carboxamide

C25H19FN6OS — CID 52932569

IUPAC2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESNc1ncnc2ccc(-c3ccc(CNc4ncccc4C(=O)Nc4ccc(F)cc4)s3)cc12
InChIInChI=1S/C25H19FN6OS/c26-16-4-6-17(7-5-16)32-25(33)19-2-1-11-28-24(19)29-13-18-8-10-22(34-18)15-3-9-21-20(12-15)23(27)31-14-30-21/h1-12,14H,13H2,(H,28,29)(H,32,33)(H2,27,30,31)
InChIKeyKBFIOYAKZGANHG-UHFFFAOYSA-N
MW470.53 g/mol
LogP5.34
Rot. Bonds6

About 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluorophenyl)pyridine-3-carboxamide

2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 52932569) has the molecular formula C25H19FN6OS and a molecular weight of 470.53 g/mol. Its IUPAC name is 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluorophenyl)pyridine-3-carboxamide
PubChem CID52932569
Molecular FormulaC25H19FN6OS
Molecular Weight470.53 g/mol
Exact Mass470.13
IUPAC Name2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESNc1ncnc2ccc(-c3ccc(CNc4ncccc4C(=O)Nc4ccc(F)cc4)s3)cc12
InChIInChI=1S/C25H19FN6OS/c26-16-4-6-17(7-5-16)32-25(33)19-2-1-11-28-24(19)29-13-18-8-10-22(34-18)15-3-9-21-20(12-15)23(27)31-14-30-21/h1-12,14H,13H2,(H,28,29)(H,32,33)(H2,27,30,31)
InChIKeyKBFIOYAKZGANHG-UHFFFAOYSA-N
XLogP5.34
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.53
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluorophenyl)pyridine-3-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluorophenyl)pyridine-3-carboxamide (CID 52932569) is 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluorophenyl)pyridine-3-carboxamide is Nc1ncnc2ccc(-c3ccc(CNc4ncccc4C(=O)Nc4ccc(F)cc4)s3)cc12.
What is the InChIKey of 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is KBFIOYAKZGANHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN6OS/c26-16-4-6-17(7-5-16)32-25(33)19-2-1-11-28-24(19)29-13-18-8-10-22(34-18)15-3-9-21-20(12-15)23(27)31-14-30-21/h1-12,14H,13H2,(H,28,29)(H,32,33)(H2,27,30,31).
What are the key properties of 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluorophenyl)pyridine-3-carboxamide?
2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 5.34, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 52932569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).