3-cyclopropyl-2-[5-[[1-(4-hydroxyphenyl)cyclohexyl]methylcarbamoyl]imidazo[1,2-a]pyridin-2-yl]propanoic acid

C27H31N3O4 — CID 143685576

IUPAC3-cyclopropyl-2-[5-[[1-(4-hydroxyphenyl)cyclohexyl]methylcarbamoyl]imidazo[1,2-a]pyridin-2-yl]propanoic acid
SMILESO=C(NCC1(c2ccc(O)cc2)CCCCC1)c1cccc2nc(C(CC3CC3)C(=O)O)cn12
InChIInChI=1S/C27H31N3O4/c31-20-11-9-19(10-12-20)27(13-2-1-3-14-27)17-28-25(32)23-5-4-6-24-29-22(16-30(23)24)21(26(33)34)15-18-7-8-18/h4-6,9-12,16,18,21,31H,1-3,7-8,13-15,17H2,(H,28,32)(H,33,34)
InChIKeyRXTXCHRZTSRACF-UHFFFAOYSA-N
MW461.56 g/mol
LogP4.64
Rot. Bonds8

About 3-cyclopropyl-2-[5-[[1-(4-hydroxyphenyl)cyclohexyl]methylcarbamoyl]imidazo[1,2-a]pyridin-2-yl]propanoic acid

3-cyclopropyl-2-[5-[[1-(4-hydroxyphenyl)cyclohexyl]methylcarbamoyl]imidazo[1,2-a]pyridin-2-yl]propanoic acid (PubChem CID 143685576) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is 3-cyclopropyl-2-[5-[[1-(4-hydroxyphenyl)cyclohexyl]methylcarbamoyl]imidazo[1,2-a]pyridin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[5-[[1-(4-hydroxyphenyl)cyclohexyl]methylcarbamoyl]imidazo[1,2-a]pyridin-2-yl]propanoic acid
PubChem CID143685576
Molecular FormulaC27H31N3O4
Molecular Weight461.56 g/mol
Exact Mass461.23
IUPAC Name3-cyclopropyl-2-[5-[[1-(4-hydroxyphenyl)cyclohexyl]methylcarbamoyl]imidazo[1,2-a]pyridin-2-yl]propanoic acid
SMILESO=C(NCC1(c2ccc(O)cc2)CCCCC1)c1cccc2nc(C(CC3CC3)C(=O)O)cn12
InChIInChI=1S/C27H31N3O4/c31-20-11-9-19(10-12-20)27(13-2-1-3-14-27)17-28-25(32)23-5-4-6-24-29-22(16-30(23)24)21(26(33)34)15-18-7-8-18/h4-6,9-12,16,18,21,31H,1-3,7-8,13-15,17H2,(H,28,32)(H,33,34)
InChIKeyRXTXCHRZTSRACF-UHFFFAOYSA-N
XLogP4.64
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxamide
CID 25268331
2-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide
CID 70862382
N-[(1-pyridin-3-ylcyclohexyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-5-carboxamide
CID 70862771
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 157016880
N-(1-adamantylmethyl)-2-(cyanomethyl)imidazo[1,2-a]pyridine-5-carboxamide
CID 70862596
5-(4-hydroxyphenyl)-N-[(1-phenylcyclopentyl)methyl]pyrazolidine-3-carboxamide
CID 134081161
N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273
2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119731159
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide
CID 110467135
2-[2-[(1-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide
CID 70862409
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]tetrazolo[1,5-a]pyridine-6-carboxamide
CID 74240891

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[5-[[1-(4-hydroxyphenyl)cyclohexyl]methylcarbamoyl]imidazo[1,2-a]pyridin-2-yl]propanoic acid?
The IUPAC name of 3-cyclopropyl-2-[5-[[1-(4-hydroxyphenyl)cyclohexyl]methylcarbamoyl]imidazo[1,2-a]pyridin-2-yl]propanoic acid (CID 143685576) is 3-cyclopropyl-2-[5-[[1-(4-hydroxyphenyl)cyclohexyl]methylcarbamoyl]imidazo[1,2-a]pyridin-2-yl]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-[5-[[1-(4-hydroxyphenyl)cyclohexyl]methylcarbamoyl]imidazo[1,2-a]pyridin-2-yl]propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-[5-[[1-(4-hydroxyphenyl)cyclohexyl]methylcarbamoyl]imidazo[1,2-a]pyridin-2-yl]propanoic acid is O=C(NCC1(c2ccc(O)cc2)CCCCC1)c1cccc2nc(C(CC3CC3)C(=O)O)cn12.
What is the InChIKey of 3-cyclopropyl-2-[5-[[1-(4-hydroxyphenyl)cyclohexyl]methylcarbamoyl]imidazo[1,2-a]pyridin-2-yl]propanoic acid?
The InChIKey is RXTXCHRZTSRACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4/c31-20-11-9-19(10-12-20)27(13-2-1-3-14-27)17-28-25(32)23-5-4-6-24-29-22(16-30(23)24)21(26(33)34)15-18-7-8-18/h4-6,9-12,16,18,21,31H,1-3,7-8,13-15,17H2,(H,28,32)(H,33,34).
What are the key properties of 3-cyclopropyl-2-[5-[[1-(4-hydroxyphenyl)cyclohexyl]methylcarbamoyl]imidazo[1,2-a]pyridin-2-yl]propanoic acid?
3-cyclopropyl-2-[5-[[1-(4-hydroxyphenyl)cyclohexyl]methylcarbamoyl]imidazo[1,2-a]pyridin-2-yl]propanoic acid has a molecular weight of 461.56 g/mol, XLogP of 4.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[5-[[1-(4-hydroxyphenyl)cyclohexyl]methylcarbamoyl]imidazo[1,2-a]pyridin-2-yl]propanoic acid is sourced from PubChem (CID 143685576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).