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

C26H25F2N5O3 — CID 118235507

IUPAC1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-3-carboxylic acid
SMILESCc1nc2ccc(-c3cnc(N4CCCC(C(=O)O)C4)nc3)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C26H25F2N5O3/c1-16-21(11-17-5-2-3-7-22(17)36-25(27)28)33-15-18(8-9-23(33)31-16)20-12-29-26(30-13-20)32-10-4-6-19(14-32)24(34)35/h2-3,5,7-9,12-13,15,19,25H,4,6,10-11,14H2,1H3,(H,34,35)
InChIKeyKUOWRHIFESVZLG-UHFFFAOYSA-N
MW493.51 g/mol
LogP4.59
Rot. Bonds7

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

1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-3-carboxylic acid (PubChem CID 118235507) has the molecular formula C26H25F2N5O3 and a molecular weight of 493.51 g/mol. Its IUPAC name is 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-3-carboxylic acid
PubChem CID118235507
Molecular FormulaC26H25F2N5O3
Molecular Weight493.51 g/mol
Exact Mass493.19
IUPAC Name1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-3-carboxylic acid
SMILESCc1nc2ccc(-c3cnc(N4CCCC(C(=O)O)C4)nc3)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C26H25F2N5O3/c1-16-21(11-17-5-2-3-7-22(17)36-25(27)28)33-15-18(8-9-23(33)31-16)20-12-29-26(30-13-20)32-10-4-6-19(14-32)24(34)35/h2-3,5,7-9,12-13,15,19,25H,4,6,10-11,14H2,1H3,(H,34,35)
InChIKeyKUOWRHIFESVZLG-UHFFFAOYSA-N
XLogP4.59
TPSA92.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.51
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]azepane-4-carboxylate
CID 118235740
(1R,5S)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 118235480
ethyl 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-3-methylpiperidine-3-carboxylate
CID 72722010
5-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-1,1-dioxo-3a,4,6,7-tetrahydro-[1,2,5]thiadiazolo[2,3-a]pyrazin-3-one
CID 121266790
1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 72720693
potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-2-methylmorpholine-2-carboxylate
CID 118235680
azanium 3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]cyclopentane-1-carboxylate
CID 118235672
azanium (1S,5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 72721302
(1S,5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 72948712
potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]cyclohexane-1-carboxylate
CID 140680550
3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine
CID 118235766
ethyl 1-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidine-4-carboxylate
CID 72721502

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-3-carboxylic acid (CID 118235507) is 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-3-carboxylic acid is Cc1nc2ccc(-c3cnc(N4CCCC(C(=O)O)C4)nc3)cn2c1Cc1ccccc1OC(F)F.
What is the InChIKey of 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-3-carboxylic acid?
The InChIKey is KUOWRHIFESVZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O3/c1-16-21(11-17-5-2-3-7-22(17)36-25(27)28)33-15-18(8-9-23(33)31-16)20-12-29-26(30-13-20)32-10-4-6-19(14-32)24(34)35/h2-3,5,7-9,12-13,15,19,25H,4,6,10-11,14H2,1H3,(H,34,35).
What are the key properties of 1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-3-carboxylic acid?
1-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-3-carboxylic acid has a molecular weight of 493.51 g/mol, XLogP of 4.59, 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]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 118235507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).