1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylanilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(difluoromethyl)pyrazole-4-carboxylic acid

C35H35F2N5O3 — CID 118628078

IUPAC1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylanilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(difluoromethyl)pyrazole-4-carboxylic acid
SMILESCc1cc(C2CCN(C(=O)C3CC3)CC2)ccc1NC1CCc2cccc(-c3cccc(-n4ncc(C(=O)O)c4C(F)F)n3)c21
InChIInChI=1S/C35H35F2N5O3/c1-20-18-24(21-14-16-41(17-15-21)34(43)23-8-9-23)11-12-27(20)39-29-13-10-22-4-2-5-25(31(22)29)28-6-3-7-30(40-28)42-32(33(36)37)26(19-38-42)35(44)45/h2-7,11-12,18-19,21,23,29,33,39H,8-10,13-17H2,1H3,(H,44,45)
InChIKeyRSVQQMDRQKMUKO-UHFFFAOYSA-N
MW611.69 g/mol
LogP7.09
Rot. Bonds8

About 1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylanilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(difluoromethyl)pyrazole-4-carboxylic acid

1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylanilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(difluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 118628078) has the molecular formula C35H35F2N5O3 and a molecular weight of 611.69 g/mol. Its IUPAC name is 1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylanilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(difluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylanilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(difluoromethyl)pyrazole-4-carboxylic acid
PubChem CID118628078
Molecular FormulaC35H35F2N5O3
Molecular Weight611.69 g/mol
Exact Mass611.27
IUPAC Name1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylanilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(difluoromethyl)pyrazole-4-carboxylic acid
SMILESCc1cc(C2CCN(C(=O)C3CC3)CC2)ccc1NC1CCc2cccc(-c3cccc(-n4ncc(C(=O)O)c4C(F)F)n3)c21
InChIInChI=1S/C35H35F2N5O3/c1-20-18-24(21-14-16-41(17-15-21)34(43)23-8-9-23)11-12-27(20)39-29-13-10-22-4-2-5-25(31(22)29)28-6-3-7-30(40-28)42-32(33(36)37)26(19-38-42)35(44)45/h2-7,11-12,18-19,21,23,29,33,39H,8-10,13-17H2,1H3,(H,44,45)
InChIKeyRSVQQMDRQKMUKO-UHFFFAOYSA-N
XLogP7.09
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.69
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylanilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(difluoromethyl)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 1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylanilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(difluoromethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylanilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(difluoromethyl)pyrazole-4-carboxylic acid (CID 118628078) is 1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylanilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(difluoromethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylanilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(difluoromethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylanilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(difluoromethyl)pyrazole-4-carboxylic acid is Cc1cc(C2CCN(C(=O)C3CC3)CC2)ccc1NC1CCc2cccc(-c3cccc(-n4ncc(C(=O)O)c4C(F)F)n3)c21.
What is the InChIKey of 1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylanilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(difluoromethyl)pyrazole-4-carboxylic acid?
The InChIKey is RSVQQMDRQKMUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35F2N5O3/c1-20-18-24(21-14-16-41(17-15-21)34(43)23-8-9-23)11-12-27(20)39-29-13-10-22-4-2-5-25(31(22)29)28-6-3-7-30(40-28)42-32(33(36)37)26(19-38-42)35(44)45/h2-7,11-12,18-19,21,23,29,33,39H,8-10,13-17H2,1H3,(H,44,45).
What are the key properties of 1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylanilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(difluoromethyl)pyrazole-4-carboxylic acid?
1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylanilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(difluoromethyl)pyrazole-4-carboxylic acid has a molecular weight of 611.69 g/mol, XLogP of 7.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylanilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(difluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 118628078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).