2-[4-[4-[2-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid

C35H32FN3O4 — CID 71695804

IUPAC2-[4-[4-[2-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(c2ccc(-c3ccc4nc(C(=O)NCc5ccc(Oc6ccc(F)cc6)cc5)cn4c3)cc2)CC1
InChIInChI=1S/C35H32FN3O4/c36-29-12-16-31(17-13-29)43-30-14-3-24(4-15-30)20-37-35(42)32-22-39-21-28(11-18-33(39)38-32)27-9-7-26(8-10-27)25-5-1-23(2-6-25)19-34(40)41/h3-4,7-18,21-23,25H,1-2,5-6,19-20H2,(H,37,42)(H,40,41)
InChIKeyKCRCHBNFVZPCKX-UHFFFAOYSA-N
MW577.66 g/mol
LogP7.61
Rot. Bonds9

About 2-[4-[4-[2-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid

2-[4-[4-[2-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid (PubChem CID 71695804) has the molecular formula C35H32FN3O4 and a molecular weight of 577.66 g/mol. Its IUPAC name is 2-[4-[4-[2-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[2-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
PubChem CID71695804
Molecular FormulaC35H32FN3O4
Molecular Weight577.66 g/mol
Exact Mass577.24
IUPAC Name2-[4-[4-[2-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(c2ccc(-c3ccc4nc(C(=O)NCc5ccc(Oc6ccc(F)cc6)cc5)cn4c3)cc2)CC1
InChIInChI=1S/C35H32FN3O4/c36-29-12-16-31(17-13-29)43-30-14-3-24(4-15-30)20-37-35(42)32-22-39-21-28(11-18-33(39)38-32)27-9-7-26(8-10-27)25-5-1-23(2-6-25)19-34(40)41/h3-4,7-18,21-23,25H,1-2,5-6,19-20H2,(H,37,42)(H,40,41)
InChIKeyKCRCHBNFVZPCKX-UHFFFAOYSA-N
XLogP7.61
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.66
LogP ≤ 57.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-[2-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid with MolForge

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Related Compounds

2-[4-[4-[2-[(4-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
CID 71695669
3-[4-[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]propanoic acid
CID 118720503
2-[4-[4-[2-[(4-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
CID 118137180
N-[(4-fluorophenyl)methyl]-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 46081047
6-(4-chlorophenyl)-N-(cyclopropylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690096
6-(2-amino-3-pyridinyl)-N-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 118720501
ethyl 2-[4-[4-[2-[(3-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetate
CID 118137179
2-cyclopropyl-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide
CID 154854058
N-benzyl-6-(2,6-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42876569
6-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42876617
(6R)-N-[(4-fluorophenyl)methyl]-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93009766
6-(4-methoxy-3,5-dimethylphenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690200

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-[2-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid (CID 71695804) is 2-[4-[4-[2-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[2-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-[2-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid is O=C(O)CC1CCC(c2ccc(-c3ccc4nc(C(=O)NCc5ccc(Oc6ccc(F)cc6)cc5)cn4c3)cc2)CC1.
What is the InChIKey of 2-[4-[4-[2-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
The InChIKey is KCRCHBNFVZPCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32FN3O4/c36-29-12-16-31(17-13-29)43-30-14-3-24(4-15-30)20-37-35(42)32-22-39-21-28(11-18-33(39)38-32)27-9-7-26(8-10-27)25-5-1-23(2-6-25)19-34(40)41/h3-4,7-18,21-23,25H,1-2,5-6,19-20H2,(H,37,42)(H,40,41).
What are the key properties of 2-[4-[4-[2-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
2-[4-[4-[2-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid has a molecular weight of 577.66 g/mol, XLogP of 7.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid is sourced from PubChem (CID 71695804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).