1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-fluoropiperidine-4-carboxylic acid

C26H23F4N5O3 — CID 118235823

IUPAC1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-fluoropiperidine-4-carboxylic acid
SMILESCc1nc2cc(F)c(-c3cnc(N4CCC(F)(C(=O)O)CC4)nc3)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C26H23F4N5O3/c1-15-20(10-16-4-2-3-5-21(16)38-24(28)29)35-14-18(19(27)11-22(35)33-15)17-12-31-25(32-13-17)34-8-6-26(30,7-9-34)23(36)37/h2-5,11-14,24H,6-10H2,1H3,(H,36,37)
InChIKeyCBLYMROURRKQAK-UHFFFAOYSA-N
MW529.49 g/mol
LogP4.82
Rot. Bonds7

About 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-fluoropiperidine-4-carboxylic acid

1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-fluoropiperidine-4-carboxylic acid (PubChem CID 118235823) has the molecular formula C26H23F4N5O3 and a molecular weight of 529.49 g/mol. Its IUPAC name is 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-fluoropiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-fluoropiperidine-4-carboxylic acid
PubChem CID118235823
Molecular FormulaC26H23F4N5O3
Molecular Weight529.49 g/mol
Exact Mass529.17
IUPAC Name1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-fluoropiperidine-4-carboxylic acid
SMILESCc1nc2cc(F)c(-c3cnc(N4CCC(F)(C(=O)O)CC4)nc3)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C26H23F4N5O3/c1-15-20(10-16-4-2-3-5-21(16)38-24(28)29)35-14-18(19(27)11-22(35)33-15)17-12-31-25(32-13-17)34-8-6-26(30,7-9-34)23(36)37/h2-5,11-14,24H,6-10H2,1H3,(H,36,37)
InChIKeyCBLYMROURRKQAK-UHFFFAOYSA-N
XLogP4.82
TPSA92.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-fluoropiperidine-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-fluoropiperidine-4-carboxylic acid?
The IUPAC name of 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-fluoropiperidine-4-carboxylic acid (CID 118235823) is 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-fluoropiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-fluoropiperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-fluoropiperidine-4-carboxylic acid is Cc1nc2cc(F)c(-c3cnc(N4CCC(F)(C(=O)O)CC4)nc3)cn2c1Cc1ccccc1OC(F)F.
What is the InChIKey of 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-fluoropiperidine-4-carboxylic acid?
The InChIKey is CBLYMROURRKQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F4N5O3/c1-15-20(10-16-4-2-3-5-21(16)38-24(28)29)35-14-18(19(27)11-22(35)33-15)17-12-31-25(32-13-17)34-8-6-26(30,7-9-34)23(36)37/h2-5,11-14,24H,6-10H2,1H3,(H,36,37).
What are the key properties of 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-fluoropiperidine-4-carboxylic acid?
1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-fluoropiperidine-4-carboxylic acid has a molecular weight of 529.49 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-fluoropiperidine-4-carboxylic acid is sourced from PubChem (CID 118235823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).