4-[[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid

C29H32F2N4O6 — CID 154965079

IUPAC4-[[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCOC(=O)N1CCO[C@@H](Cc2c(-c3c(F)cc(NC(=O)C4CCC(C(=O)O)CC4)cc3F)nc3cc(C)ccn23)C1
InChIInChI=1S/C29H32F2N4O6/c1-16-7-8-35-23(14-20-15-34(9-10-41-20)29(39)40-2)26(33-24(35)11-16)25-21(30)12-19(13-22(25)31)32-27(36)17-3-5-18(6-4-17)28(37)38/h7-8,11-13,17-18,20H,3-6,9-10,14-15H2,1-2H3,(H,32,36)(H,37,38)/t17?,18?,20-/m0/s1
InChIKeyCKRQRYZZETUXLE-QLOJAFMTSA-N
MW570.59 g/mol
LogP4.43
Rot. Bonds6

About 4-[[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 154965079) has the molecular formula C29H32F2N4O6 and a molecular weight of 570.59 g/mol. Its IUPAC name is 4-[[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID154965079
Molecular FormulaC29H32F2N4O6
Molecular Weight570.59 g/mol
Exact Mass570.23
IUPAC Name4-[[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCOC(=O)N1CCO[C@@H](Cc2c(-c3c(F)cc(NC(=O)C4CCC(C(=O)O)CC4)cc3F)nc3cc(C)ccn23)C1
InChIInChI=1S/C29H32F2N4O6/c1-16-7-8-35-23(14-20-15-34(9-10-41-20)29(39)40-2)26(33-24(35)11-16)25-21(30)12-19(13-22(25)31)32-27(36)17-3-5-18(6-4-17)28(37)38/h7-8,11-13,17-18,20H,3-6,9-10,14-15H2,1-2H3,(H,32,36)(H,37,38)/t17?,18?,20-/m0/s1
InChIKeyCKRQRYZZETUXLE-QLOJAFMTSA-N
XLogP4.43
TPSA122.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.59
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 154965079) is 4-[[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid is COC(=O)N1CCO[C@@H](Cc2c(-c3c(F)cc(NC(=O)C4CCC(C(=O)O)CC4)cc3F)nc3cc(C)ccn23)C1.
What is the InChIKey of 4-[[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is CKRQRYZZETUXLE-QLOJAFMTSA-N. The full InChI is InChI=1S/C29H32F2N4O6/c1-16-7-8-35-23(14-20-15-34(9-10-41-20)29(39)40-2)26(33-24(35)11-16)25-21(30)12-19(13-22(25)31)32-27(36)17-3-5-18(6-4-17)28(37)38/h7-8,11-13,17-18,20H,3-6,9-10,14-15H2,1-2H3,(H,32,36)(H,37,38)/t17?,18?,20-/m0/s1.
What are the key properties of 4-[[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 570.59 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 154965079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).