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

C34H32F3N5O3 — CID 130199978

IUPAC1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]anilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cccc(-c3cccc4c3C(Nc3ccc(C5CCN(C(=O)C6CC6)CC5)cc3)CC4)n2)c1C(F)(F)F
InChIInChI=1S/C34H32F3N5O3/c35-34(36,37)31-26(33(44)45)19-38-42(31)29-6-2-5-27(40-29)25-4-1-3-22-11-14-28(30(22)25)39-24-12-9-20(10-13-24)21-15-17-41(18-16-21)32(43)23-7-8-23/h1-6,9-10,12-13,19,21,23,28,39H,7-8,11,14-18H2,(H,44,45)
InChIKeyHUGMXQQOSVJRAB-UHFFFAOYSA-N
MW615.66 g/mol
LogP6.87
Rot. Bonds7

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

1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]anilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 130199978) has the molecular formula C34H32F3N5O3 and a molecular weight of 615.66 g/mol. Its IUPAC name is 1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]anilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]anilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
PubChem CID130199978
Molecular FormulaC34H32F3N5O3
Molecular Weight615.66 g/mol
Exact Mass615.25
IUPAC Name1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]anilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cccc(-c3cccc4c3C(Nc3ccc(C5CCN(C(=O)C6CC6)CC5)cc3)CC4)n2)c1C(F)(F)F
InChIInChI=1S/C34H32F3N5O3/c35-34(36,37)31-26(33(44)45)19-38-42(31)29-6-2-5-27(40-29)25-4-1-3-22-11-14-28(30(22)25)39-24-12-9-20(10-13-24)21-15-17-41(18-16-21)32(43)23-7-8-23/h1-6,9-10,12-13,19,21,23,28,39H,7-8,11,14-18H2,(H,44,45)
InChIKeyHUGMXQQOSVJRAB-UHFFFAOYSA-N
XLogP6.87
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.66
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]anilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]anilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]anilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid (CID 130199978) is 1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]anilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]anilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]anilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2cccc(-c3cccc4c3C(Nc3ccc(C5CCN(C(=O)C6CC6)CC5)cc3)CC4)n2)c1C(F)(F)F.
What is the InChIKey of 1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]anilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The InChIKey is HUGMXQQOSVJRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F3N5O3/c35-34(36,37)31-26(33(44)45)19-38-42(31)29-6-2-5-27(40-29)25-4-1-3-22-11-14-28(30(22)25)39-24-12-9-20(10-13-24)21-15-17-41(18-16-21)32(43)23-7-8-23/h1-6,9-10,12-13,19,21,23,28,39H,7-8,11,14-18H2,(H,44,45).
What are the key properties of 1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]anilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
1-[6-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]anilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid has a molecular weight of 615.66 g/mol, XLogP of 6.87, 7 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]anilino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 130199978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).