2-[5-(4,4-dimethylpiperidin-1-yl)-2-[3-(2,5-dimethylpyrazol-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

C32H41N5O3 — CID 118903059

IUPAC2-[5-(4,4-dimethylpiperidin-1-yl)-2-[3-(2,5-dimethylpyrazol-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCc1cc(-c2cccc(-c3cn4c(N5CCC(C)(C)CC5)c(C(OC(C)(C)C)C(=O)O)c(C)cc4n3)c2)n(C)n1
InChIInChI=1S/C32H41N5O3/c1-20-16-26-33-24(22-10-9-11-23(18-22)25-17-21(2)34-35(25)8)19-37(26)29(36-14-12-32(6,7)13-15-36)27(20)28(30(38)39)40-31(3,4)5/h9-11,16-19,28H,12-15H2,1-8H3,(H,38,39)
InChIKeyWZTYEXSQXVIVBH-UHFFFAOYSA-N
MW543.71 g/mol
LogP6.59
Rot. Bonds6

About 2-[5-(4,4-dimethylpiperidin-1-yl)-2-[3-(2,5-dimethylpyrazol-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

2-[5-(4,4-dimethylpiperidin-1-yl)-2-[3-(2,5-dimethylpyrazol-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 118903059) has the molecular formula C32H41N5O3 and a molecular weight of 543.71 g/mol. Its IUPAC name is 2-[5-(4,4-dimethylpiperidin-1-yl)-2-[3-(2,5-dimethylpyrazol-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[5-(4,4-dimethylpiperidin-1-yl)-2-[3-(2,5-dimethylpyrazol-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
PubChem CID118903059
Molecular FormulaC32H41N5O3
Molecular Weight543.71 g/mol
Exact Mass543.32
IUPAC Name2-[5-(4,4-dimethylpiperidin-1-yl)-2-[3-(2,5-dimethylpyrazol-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCc1cc(-c2cccc(-c3cn4c(N5CCC(C)(C)CC5)c(C(OC(C)(C)C)C(=O)O)c(C)cc4n3)c2)n(C)n1
InChIInChI=1S/C32H41N5O3/c1-20-16-26-33-24(22-10-9-11-23(18-22)25-17-21(2)34-35(25)8)19-37(26)29(36-14-12-32(6,7)13-15-36)27(20)28(30(38)39)40-31(3,4)5/h9-11,16-19,28H,12-15H2,1-8H3,(H,38,39)
InChIKeyWZTYEXSQXVIVBH-UHFFFAOYSA-N
XLogP6.59
TPSA84.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.71
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-(4,4-dimethylpiperidin-1-yl)-2-[3-(2,5-dimethylpyrazol-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid with MolForge

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Related Compounds

2-[5-(4,4-dimethylpiperidin-1-yl)-2-[3-(4-fluorophenyl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 135288739
(2S)-2-[5-(4,4-dimethylpiperidin-1-yl)-2-[3-(4-fluorophenyl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 118909502
2-[7-(4,4-dimethylpiperidin-1-yl)-5-methyl-2-(3-phenylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 71730685
(2S)-2-[(22R)-22-amino-4,17,28-trimethyl-21,27-dioxa-1,7,34-triazahexacyclo[26.2.2.16,9.110,14.02,7.015,20]tetratriaconta-2,4,6(34),8,10,12,14(33),15(20),16,18-decaen-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 163578452
(2S)-2-[(22S)-18-fluoro-4,22,27-trimethyl-21,26-dioxa-1,7,33-triazahexacyclo[25.2.2.16,9.110,14.02,7.015,20]tritriaconta-2,4,6(33),8,10,12,14(32),15(20),16,18-decaen-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 118319905
2-[(2-methylpropan-2-yl)oxy]-2-(4,17,22,28-tetramethyl-21,27-dioxa-1,7,34-triazahexacyclo[26.2.2.16,9.110,14.02,7.015,20]tetratriaconta-2,4,6(34),8,10,12,14(33),15(20),16,18-decaen-3-yl)acetic acid
CID 123928846
(2S)-2-[(22S)-17,18-difluoro-4,22,28-trimethyl-21,27-dioxa-1,7,34-triazahexacyclo[26.2.2.16,9.110,14.02,7.015,20]tetratriaconta-2,4,6(34),8,10,12,14(33),15,17,19,24-undecaen-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 123416277
2-[5-(4,4-dimethylpiperidin-1-yl)-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 123619835
2-[7-methyl-2-[3-(3-methylphenyl)-2-[(2S)-pent-4-en-2-yl]oxyphenyl]-5-(4-methyl-4-prop-2-enoxypiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 118326376
methyl (2S)-2-[2-[3-(3-fluoro-2-hydroxyphenyl)phenyl]-7-methyl-5-(4-methyl-4-prop-2-enoxypiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 118308858
methyl (2S)-2-[(22R)-22-amino-17-fluoro-4,18,28-trimethyl-21,27-dioxa-1,7,34-triazahexacyclo[26.2.2.16,9.110,14.02,7.015,20]tetratriaconta-2,4,6(34),8,10,12,14(33),15(20),16,18-decaen-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 144908264
methyl (2S)-2-[2-[3-[2-fluoro-4-methyl-6-[(2S)-pent-4-en-2-yl]oxyphenyl]phenyl]-7-methyl-5-(4-methyl-4-prop-2-enoxypiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 118308789

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4,4-dimethylpiperidin-1-yl)-2-[3-(2,5-dimethylpyrazol-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The IUPAC name of 2-[5-(4,4-dimethylpiperidin-1-yl)-2-[3-(2,5-dimethylpyrazol-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 118903059) is 2-[5-(4,4-dimethylpiperidin-1-yl)-2-[3-(2,5-dimethylpyrazol-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.
What is the SMILES notation for 2-[5-(4,4-dimethylpiperidin-1-yl)-2-[3-(2,5-dimethylpyrazol-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The canonical SMILES for 2-[5-(4,4-dimethylpiperidin-1-yl)-2-[3-(2,5-dimethylpyrazol-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1cc(-c2cccc(-c3cn4c(N5CCC(C)(C)CC5)c(C(OC(C)(C)C)C(=O)O)c(C)cc4n3)c2)n(C)n1.
What is the InChIKey of 2-[5-(4,4-dimethylpiperidin-1-yl)-2-[3-(2,5-dimethylpyrazol-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The InChIKey is WZTYEXSQXVIVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N5O3/c1-20-16-26-33-24(22-10-9-11-23(18-22)25-17-21(2)34-35(25)8)19-37(26)29(36-14-12-32(6,7)13-15-36)27(20)28(30(38)39)40-31(3,4)5/h9-11,16-19,28H,12-15H2,1-8H3,(H,38,39).
What are the key properties of 2-[5-(4,4-dimethylpiperidin-1-yl)-2-[3-(2,5-dimethylpyrazol-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
2-[5-(4,4-dimethylpiperidin-1-yl)-2-[3-(2,5-dimethylpyrazol-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 543.71 g/mol, XLogP of 6.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4,4-dimethylpiperidin-1-yl)-2-[3-(2,5-dimethylpyrazol-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 118903059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).