2-[2-[4-chloro-5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

C31H37ClFN5O3 — CID 123583877

IUPAC2-[2-[4-chloro-5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCc1cc2nc(-c3nc(Cl)c(Cc4ccc(F)cc4)[nH]3)cn2c(N2CCC(C)(C)CC2)c1C(OC(C)(C)C)C(=O)O
InChIInChI=1S/C31H37ClFN5O3/c1-18-15-23-34-22(27-35-21(26(32)36-27)16-19-7-9-20(33)10-8-19)17-38(23)28(37-13-11-31(5,6)12-14-37)24(18)25(29(39)40)41-30(2,3)4/h7-10,15,17,25H,11-14,16H2,1-6H3,(H,35,36)(H,39,40)
InChIKeyRSGJTTNSMQLVJM-UHFFFAOYSA-N
MW582.12 g/mol
LogP6.98
Rot. Bonds7

About 2-[2-[4-chloro-5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

2-[2-[4-chloro-5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 123583877) has the molecular formula C31H37ClFN5O3 and a molecular weight of 582.12 g/mol. Its IUPAC name is 2-[2-[4-chloro-5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-chloro-5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
PubChem CID123583877
Molecular FormulaC31H37ClFN5O3
Molecular Weight582.12 g/mol
Exact Mass581.26
IUPAC Name2-[2-[4-chloro-5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCc1cc2nc(-c3nc(Cl)c(Cc4ccc(F)cc4)[nH]3)cn2c(N2CCC(C)(C)CC2)c1C(OC(C)(C)C)C(=O)O
InChIInChI=1S/C31H37ClFN5O3/c1-18-15-23-34-22(27-35-21(26(32)36-27)16-19-7-9-20(33)10-8-19)17-38(23)28(37-13-11-31(5,6)12-14-37)24(18)25(29(39)40)41-30(2,3)4/h7-10,15,17,25H,11-14,16H2,1-6H3,(H,35,36)(H,39,40)
InChIKeyRSGJTTNSMQLVJM-UHFFFAOYSA-N
XLogP6.98
TPSA95.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.12
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-[4-chloro-5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-chloro-5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The IUPAC name of 2-[2-[4-chloro-5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 123583877) is 2-[2-[4-chloro-5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.
What is the SMILES notation for 2-[2-[4-chloro-5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The canonical SMILES for 2-[2-[4-chloro-5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1cc2nc(-c3nc(Cl)c(Cc4ccc(F)cc4)[nH]3)cn2c(N2CCC(C)(C)CC2)c1C(OC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[2-[4-chloro-5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The InChIKey is RSGJTTNSMQLVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37ClFN5O3/c1-18-15-23-34-22(27-35-21(26(32)36-27)16-19-7-9-20(33)10-8-19)17-38(23)28(37-13-11-31(5,6)12-14-37)24(18)25(29(39)40)41-30(2,3)4/h7-10,15,17,25H,11-14,16H2,1-6H3,(H,35,36)(H,39,40).
What are the key properties of 2-[2-[4-chloro-5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
2-[2-[4-chloro-5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 582.12 g/mol, XLogP of 6.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-chloro-5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-5-(4,4-dimethylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 123583877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).