5-ethyl-1-[6-[3-[[4-(1-methoxycarbonylpiperidin-4-yl)-2-methylphenyl]methyl]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylic acid

C35H38N4O4 — CID 118627906

IUPAC5-ethyl-1-[6-[3-[[4-(1-methoxycarbonylpiperidin-4-yl)-2-methylphenyl]methyl]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)cnn1-c1cccc(-c2cccc3c2C(Cc2ccc(C4CCN(C(=O)OC)CC4)cc2C)CC3)n1
InChIInChI=1S/C35H38N4O4/c1-4-31-29(34(40)41)21-36-39(31)32-10-6-9-30(37-32)28-8-5-7-24-11-14-27(33(24)28)20-25-12-13-26(19-22(25)2)23-15-17-38(18-16-23)35(42)43-3/h5-10,12-13,19,21,23,27H,4,11,14-18,20H2,1-3H3,(H,40,41)
InChIKeyNHLAUQQVKIVACU-UHFFFAOYSA-N
MW578.71 g/mol
LogP6.72
Rot. Bonds7

About 5-ethyl-1-[6-[3-[[4-(1-methoxycarbonylpiperidin-4-yl)-2-methylphenyl]methyl]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylic acid

5-ethyl-1-[6-[3-[[4-(1-methoxycarbonylpiperidin-4-yl)-2-methylphenyl]methyl]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylic acid (PubChem CID 118627906) has the molecular formula C35H38N4O4 and a molecular weight of 578.71 g/mol. Its IUPAC name is 5-ethyl-1-[6-[3-[[4-(1-methoxycarbonylpiperidin-4-yl)-2-methylphenyl]methyl]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-[6-[3-[[4-(1-methoxycarbonylpiperidin-4-yl)-2-methylphenyl]methyl]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylic acid
PubChem CID118627906
Molecular FormulaC35H38N4O4
Molecular Weight578.71 g/mol
Exact Mass578.29
IUPAC Name5-ethyl-1-[6-[3-[[4-(1-methoxycarbonylpiperidin-4-yl)-2-methylphenyl]methyl]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)cnn1-c1cccc(-c2cccc3c2C(Cc2ccc(C4CCN(C(=O)OC)CC4)cc2C)CC3)n1
InChIInChI=1S/C35H38N4O4/c1-4-31-29(34(40)41)21-36-39(31)32-10-6-9-30(37-32)28-8-5-7-24-11-14-27(33(24)28)20-25-12-13-26(19-22(25)2)23-15-17-38(18-16-23)35(42)43-3/h5-10,12-13,19,21,23,27H,4,11,14-18,20H2,1-3H3,(H,40,41)
InChIKeyNHLAUQQVKIVACU-UHFFFAOYSA-N
XLogP6.72
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.71
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-1-[6-[3-[[4-(1-methoxycarbonylpiperidin-4-yl)-2-methylphenyl]methyl]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[6-[3-[[4-(1-methoxycarbonylpiperidin-4-yl)-2-methylphenyl]methyl]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylic acid?
The IUPAC name of 5-ethyl-1-[6-[3-[[4-(1-methoxycarbonylpiperidin-4-yl)-2-methylphenyl]methyl]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylic acid (CID 118627906) is 5-ethyl-1-[6-[3-[[4-(1-methoxycarbonylpiperidin-4-yl)-2-methylphenyl]methyl]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-[6-[3-[[4-(1-methoxycarbonylpiperidin-4-yl)-2-methylphenyl]methyl]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 5-ethyl-1-[6-[3-[[4-(1-methoxycarbonylpiperidin-4-yl)-2-methylphenyl]methyl]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylic acid is CCc1c(C(=O)O)cnn1-c1cccc(-c2cccc3c2C(Cc2ccc(C4CCN(C(=O)OC)CC4)cc2C)CC3)n1.
What is the InChIKey of 5-ethyl-1-[6-[3-[[4-(1-methoxycarbonylpiperidin-4-yl)-2-methylphenyl]methyl]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylic acid?
The InChIKey is NHLAUQQVKIVACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N4O4/c1-4-31-29(34(40)41)21-36-39(31)32-10-6-9-30(37-32)28-8-5-7-24-11-14-27(33(24)28)20-25-12-13-26(19-22(25)2)23-15-17-38(18-16-23)35(42)43-3/h5-10,12-13,19,21,23,27H,4,11,14-18,20H2,1-3H3,(H,40,41).
What are the key properties of 5-ethyl-1-[6-[3-[[4-(1-methoxycarbonylpiperidin-4-yl)-2-methylphenyl]methyl]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylic acid?
5-ethyl-1-[6-[3-[[4-(1-methoxycarbonylpiperidin-4-yl)-2-methylphenyl]methyl]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylic acid has a molecular weight of 578.71 g/mol, XLogP of 6.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[6-[3-[[4-(1-methoxycarbonylpiperidin-4-yl)-2-methylphenyl]methyl]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 118627906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).