3-[(4,4-difluorocyclohexyl)methyl]-2-(2-hydroxypropan-2-yl)-5-methyl-N-phenylimidazo[1,2-a]pyridine-7-carboxamide

C25H29F2N3O2 — CID 118112864

IUPAC3-[(4,4-difluorocyclohexyl)methyl]-2-(2-hydroxypropan-2-yl)-5-methyl-N-phenylimidazo[1,2-a]pyridine-7-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2)cc2nc(C(C)(C)O)c(CC3CCC(F)(F)CC3)n12
InChIInChI=1S/C25H29F2N3O2/c1-16-13-18(23(31)28-19-7-5-4-6-8-19)15-21-29-22(24(2,3)32)20(30(16)21)14-17-9-11-25(26,27)12-10-17/h4-8,13,15,17,32H,9-12,14H2,1-3H3,(H,28,31)
InChIKeyPEDBLEHPDNEPLU-UHFFFAOYSA-N
MW441.52 g/mol
LogP5.49
Rot. Bonds5

About 3-[(4,4-difluorocyclohexyl)methyl]-2-(2-hydroxypropan-2-yl)-5-methyl-N-phenylimidazo[1,2-a]pyridine-7-carboxamide

3-[(4,4-difluorocyclohexyl)methyl]-2-(2-hydroxypropan-2-yl)-5-methyl-N-phenylimidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 118112864) has the molecular formula C25H29F2N3O2 and a molecular weight of 441.52 g/mol. Its IUPAC name is 3-[(4,4-difluorocyclohexyl)methyl]-2-(2-hydroxypropan-2-yl)-5-methyl-N-phenylimidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-[(4,4-difluorocyclohexyl)methyl]-2-(2-hydroxypropan-2-yl)-5-methyl-N-phenylimidazo[1,2-a]pyridine-7-carboxamide
PubChem CID118112864
Molecular FormulaC25H29F2N3O2
Molecular Weight441.52 g/mol
Exact Mass441.22
IUPAC Name3-[(4,4-difluorocyclohexyl)methyl]-2-(2-hydroxypropan-2-yl)-5-methyl-N-phenylimidazo[1,2-a]pyridine-7-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2)cc2nc(C(C)(C)O)c(CC3CCC(F)(F)CC3)n12
InChIInChI=1S/C25H29F2N3O2/c1-16-13-18(23(31)28-19-7-5-4-6-8-19)15-21-29-22(24(2,3)32)20(30(16)21)14-17-9-11-25(26,27)12-10-17/h4-8,13,15,17,32H,9-12,14H2,1-3H3,(H,28,31)
InChIKeyPEDBLEHPDNEPLU-UHFFFAOYSA-N
XLogP5.49
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.52
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-difluorocyclohexyl)methyl]-2-(2-hydroxypropan-2-yl)-5-methyl-N-phenylimidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 3-[(4,4-difluorocyclohexyl)methyl]-2-(2-hydroxypropan-2-yl)-5-methyl-N-phenylimidazo[1,2-a]pyridine-7-carboxamide (CID 118112864) is 3-[(4,4-difluorocyclohexyl)methyl]-2-(2-hydroxypropan-2-yl)-5-methyl-N-phenylimidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-[(4,4-difluorocyclohexyl)methyl]-2-(2-hydroxypropan-2-yl)-5-methyl-N-phenylimidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 3-[(4,4-difluorocyclohexyl)methyl]-2-(2-hydroxypropan-2-yl)-5-methyl-N-phenylimidazo[1,2-a]pyridine-7-carboxamide is Cc1cc(C(=O)Nc2ccccc2)cc2nc(C(C)(C)O)c(CC3CCC(F)(F)CC3)n12.
What is the InChIKey of 3-[(4,4-difluorocyclohexyl)methyl]-2-(2-hydroxypropan-2-yl)-5-methyl-N-phenylimidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is PEDBLEHPDNEPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N3O2/c1-16-13-18(23(31)28-19-7-5-4-6-8-19)15-21-29-22(24(2,3)32)20(30(16)21)14-17-9-11-25(26,27)12-10-17/h4-8,13,15,17,32H,9-12,14H2,1-3H3,(H,28,31).
What are the key properties of 3-[(4,4-difluorocyclohexyl)methyl]-2-(2-hydroxypropan-2-yl)-5-methyl-N-phenylimidazo[1,2-a]pyridine-7-carboxamide?
3-[(4,4-difluorocyclohexyl)methyl]-2-(2-hydroxypropan-2-yl)-5-methyl-N-phenylimidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 441.52 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-difluorocyclohexyl)methyl]-2-(2-hydroxypropan-2-yl)-5-methyl-N-phenylimidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 118112864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).