2-fluoro-N-(4-fluorophenyl)-N-methyl-4-[6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

C25H21F2N5O — CID 71017592

IUPAC2-fluoro-N-(4-fluorophenyl)-N-methyl-4-[6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCN1C=C(c2ccc3ncc(-c4ccc(C(=O)N(C)c5ccc(F)cc5)c(F)c4)n3c2)CN1
InChIInChI=1S/C25H21F2N5O/c1-30-14-18(12-29-30)17-4-10-24-28-13-23(32(24)15-17)16-3-9-21(22(27)11-16)25(33)31(2)20-7-5-19(26)6-8-20/h3-11,13-15,29H,12H2,1-2H3
InChIKeyKHAHYNCUKQDDDS-UHFFFAOYSA-N
MW445.47 g/mol
LogP4.35
Rot. Bonds4

About 2-fluoro-N-(4-fluorophenyl)-N-methyl-4-[6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

2-fluoro-N-(4-fluorophenyl)-N-methyl-4-[6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 71017592) has the molecular formula C25H21F2N5O and a molecular weight of 445.47 g/mol. Its IUPAC name is 2-fluoro-N-(4-fluorophenyl)-N-methyl-4-[6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-fluorophenyl)-N-methyl-4-[6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID71017592
Molecular FormulaC25H21F2N5O
Molecular Weight445.47 g/mol
Exact Mass445.17
IUPAC Name2-fluoro-N-(4-fluorophenyl)-N-methyl-4-[6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCN1C=C(c2ccc3ncc(-c4ccc(C(=O)N(C)c5ccc(F)cc5)c(F)c4)n3c2)CN1
InChIInChI=1S/C25H21F2N5O/c1-30-14-18(12-29-30)17-4-10-24-28-13-23(32(24)15-17)16-3-9-21(22(27)11-16)25(33)31(2)20-7-5-19(26)6-8-20/h3-11,13-15,29H,12H2,1-2H3
InChIKeyKHAHYNCUKQDDDS-UHFFFAOYSA-N
XLogP4.35
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-fluorophenyl)-N-methyl-4-[6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-(4-fluorophenyl)-N-methyl-4-[6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 71017592) is 2-fluoro-N-(4-fluorophenyl)-N-methyl-4-[6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-(4-fluorophenyl)-N-methyl-4-[6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N-(4-fluorophenyl)-N-methyl-4-[6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is CN1C=C(c2ccc3ncc(-c4ccc(C(=O)N(C)c5ccc(F)cc5)c(F)c4)n3c2)CN1.
What is the InChIKey of 2-fluoro-N-(4-fluorophenyl)-N-methyl-4-[6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is KHAHYNCUKQDDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5O/c1-30-14-18(12-29-30)17-4-10-24-28-13-23(32(24)15-17)16-3-9-21(22(27)11-16)25(33)31(2)20-7-5-19(26)6-8-20/h3-11,13-15,29H,12H2,1-2H3.
What are the key properties of 2-fluoro-N-(4-fluorophenyl)-N-methyl-4-[6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
2-fluoro-N-(4-fluorophenyl)-N-methyl-4-[6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 445.47 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-fluorophenyl)-N-methyl-4-[6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 71017592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).