1-(6-fluoro-4-methylquinazolin-2-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidine-4-carboxamide

C23H23FN6O — CID 42275943

IUPAC1-(6-fluoro-4-methylquinazolin-2-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1nc(N2CCC(C(=O)NCc3cnc4ccccn34)CC2)nc2ccc(F)cc12
InChIInChI=1S/C23H23FN6O/c1-15-19-12-17(24)5-6-20(19)28-23(27-15)29-10-7-16(8-11-29)22(31)26-14-18-13-25-21-4-2-3-9-30(18)21/h2-6,9,12-13,16H,7-8,10-11,14H2,1H3,(H,26,31)
InChIKeyURYHVXAXMSQRKY-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.26
Rot. Bonds4

About 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidine-4-carboxamide

1-(6-fluoro-4-methylquinazolin-2-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 42275943) has the molecular formula C23H23FN6O and a molecular weight of 418.48 g/mol. Its IUPAC name is 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-fluoro-4-methylquinazolin-2-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID42275943
Molecular FormulaC23H23FN6O
Molecular Weight418.48 g/mol
Exact Mass418.19
IUPAC Name1-(6-fluoro-4-methylquinazolin-2-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1nc(N2CCC(C(=O)NCc3cnc4ccccn34)CC2)nc2ccc(F)cc12
InChIInChI=1S/C23H23FN6O/c1-15-19-12-17(24)5-6-20(19)28-23(27-15)29-10-7-16(8-11-29)22(31)26-14-18-13-25-21-4-2-3-9-30(18)21/h2-6,9,12-13,16H,7-8,10-11,14H2,1H3,(H,26,31)
InChIKeyURYHVXAXMSQRKY-UHFFFAOYSA-N
XLogP3.26
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 42275943) is 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidine-4-carboxamide is Cc1nc(N2CCC(C(=O)NCc3cnc4ccccn34)CC2)nc2ccc(F)cc12.
What is the InChIKey of 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is URYHVXAXMSQRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O/c1-15-19-12-17(24)5-6-20(19)28-23(27-15)29-10-7-16(8-11-29)22(31)26-14-18-13-25-21-4-2-3-9-30(18)21/h2-6,9,12-13,16H,7-8,10-11,14H2,1H3,(H,26,31).
What are the key properties of 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-(6-fluoro-4-methylquinazolin-2-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-4-methylquinazolin-2-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 42275943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).