2-[[4-[6-[(4-cyano-2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-3-[(3-ethylimidazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid

C33H32FN7O2 — CID 162517509

IUPAC2-[[4-[6-[(4-cyano-2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-3-[(3-ethylimidazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid
SMILESCCn1cncc1Cc1c(CN2CCC(c3cccc(Cc4ccc(C#N)cc4F)n3)CC2)nn2ccc(C(=O)O)cc12
InChIInChI=1S/C33H32FN7O2/c1-2-40-21-36-19-27(40)17-28-31(38-41-13-10-25(33(42)43)16-32(28)41)20-39-11-8-23(9-12-39)30-5-3-4-26(37-30)15-24-7-6-22(18-35)14-29(24)34/h3-7,10,13-14,16,19,21,23H,2,8-9,11-12,15,17,20H2,1H3,(H,42,43)
InChIKeyWTJUMXSDKHEWIK-UHFFFAOYSA-N
MW577.66 g/mol
LogP5.22
Rot. Bonds9

About 2-[[4-[6-[(4-cyano-2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-3-[(3-ethylimidazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid

2-[[4-[6-[(4-cyano-2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-3-[(3-ethylimidazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 162517509) has the molecular formula C33H32FN7O2 and a molecular weight of 577.66 g/mol. Its IUPAC name is 2-[[4-[6-[(4-cyano-2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-3-[(3-ethylimidazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-[[4-[6-[(4-cyano-2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-3-[(3-ethylimidazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID162517509
Molecular FormulaC33H32FN7O2
Molecular Weight577.66 g/mol
Exact Mass577.26
IUPAC Name2-[[4-[6-[(4-cyano-2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-3-[(3-ethylimidazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid
SMILESCCn1cncc1Cc1c(CN2CCC(c3cccc(Cc4ccc(C#N)cc4F)n3)CC2)nn2ccc(C(=O)O)cc12
InChIInChI=1S/C33H32FN7O2/c1-2-40-21-36-19-27(40)17-28-31(38-41-13-10-25(33(42)43)16-32(28)41)20-39-11-8-23(9-12-39)30-5-3-4-26(37-30)15-24-7-6-22(18-35)14-29(24)34/h3-7,10,13-14,16,19,21,23H,2,8-9,11-12,15,17,20H2,1H3,(H,42,43)
InChIKeyWTJUMXSDKHEWIK-UHFFFAOYSA-N
XLogP5.22
TPSA112.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.66
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[4-[6-[(4-cyano-2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-3-[(3-ethylimidazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid with MolForge

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Related Compounds

6-(4-Cyanophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600399
6-(4-Methylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71602216
2-[4-[[2-Propyl-5-(1-propylbenzimidazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]phenyl]benzoic acid
CID 76328690
p38|A MAPK/CK1|A inhibitor-1
CID 76332540
4-(8-(6-(2-Methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoic acid
CID 71525615
US10273222, Example 15
CID 90407430
4-[8-morpholin-4-yl-2-[(E)-2-pyridin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 117728419
4-[8-Morpholin-4-yl-2-[2-[5-(trifluoromethyl)pyridin-2-yl]ethynyl]imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 117728527
4-[2-[2-(5-Cyano-2-pyridinyl)ethynyl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 117728583
WO2022109182, Example 4
CID 163370827
2-[4-[(2-Butylimidazo[4,5-d]pyridazin-3-yl)methyl]phenyl]benzoic acid
CID 20604663
4-[4-[4-[4-[(6-Aminopurin-9-yl)methyl]phenyl]triazol-1-yl]butyl]benzoic acid
CID 177372080

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[6-[(4-cyano-2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-3-[(3-ethylimidazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-[[4-[6-[(4-cyano-2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-3-[(3-ethylimidazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid (CID 162517509) is 2-[[4-[6-[(4-cyano-2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-3-[(3-ethylimidazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-[[4-[6-[(4-cyano-2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-3-[(3-ethylimidazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-[[4-[6-[(4-cyano-2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-3-[(3-ethylimidazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid is CCn1cncc1Cc1c(CN2CCC(c3cccc(Cc4ccc(C#N)cc4F)n3)CC2)nn2ccc(C(=O)O)cc12.
What is the InChIKey of 2-[[4-[6-[(4-cyano-2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-3-[(3-ethylimidazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is WTJUMXSDKHEWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FN7O2/c1-2-40-21-36-19-27(40)17-28-31(38-41-13-10-25(33(42)43)16-32(28)41)20-39-11-8-23(9-12-39)30-5-3-4-26(37-30)15-24-7-6-22(18-35)14-29(24)34/h3-7,10,13-14,16,19,21,23H,2,8-9,11-12,15,17,20H2,1H3,(H,42,43).
What are the key properties of 2-[[4-[6-[(4-cyano-2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-3-[(3-ethylimidazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid?
2-[[4-[6-[(4-cyano-2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-3-[(3-ethylimidazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 577.66 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[6-[(4-cyano-2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-3-[(3-ethylimidazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 162517509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).