5-chloro-N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide

C29H32ClF3N4O2 — CID 22135140

IUPAC5-chloro-N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
SMILESO=C(CN(C(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1C(F)(F)F)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C29H32ClF3N4O2/c30-21-9-10-24-20(15-21)16-25(35-24)28(39)37(26-8-4-3-7-23(26)29(31,32)33)18-27(38)34-17-19-11-13-36(14-12-19)22-5-1-2-6-22/h3-4,7-10,15-16,19,22,35H,1-2,5-6,11-14,17-18H2,(H,34,38)
InChIKeyHVSRYYDCVWATED-UHFFFAOYSA-N
MW561.05 g/mol
LogP6.26
Rot. Bonds7

About 5-chloro-N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide

5-chloro-N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide (PubChem CID 22135140) has the molecular formula C29H32ClF3N4O2 and a molecular weight of 561.05 g/mol. Its IUPAC name is 5-chloro-N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
PubChem CID22135140
Molecular FormulaC29H32ClF3N4O2
Molecular Weight561.05 g/mol
Exact Mass560.22
IUPAC Name5-chloro-N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
SMILESO=C(CN(C(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1C(F)(F)F)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C29H32ClF3N4O2/c30-21-9-10-24-20(15-21)16-25(35-24)28(39)37(26-8-4-3-7-23(26)29(31,32)33)18-27(38)34-17-19-11-13-36(14-12-19)22-5-1-2-6-22/h3-4,7-10,15-16,19,22,35H,1-2,5-6,11-14,17-18H2,(H,34,38)
InChIKeyHVSRYYDCVWATED-UHFFFAOYSA-N
XLogP6.26
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.05
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide (CID 22135140) is 5-chloro-N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide is O=C(CN(C(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1C(F)(F)F)NCC1CCN(C2CCCC2)CC1.
What is the InChIKey of 5-chloro-N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is HVSRYYDCVWATED-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClF3N4O2/c30-21-9-10-24-20(15-21)16-25(35-24)28(39)37(26-8-4-3-7-23(26)29(31,32)33)18-27(38)34-17-19-11-13-36(14-12-19)22-5-1-2-6-22/h3-4,7-10,15-16,19,22,35H,1-2,5-6,11-14,17-18H2,(H,34,38).
What are the key properties of 5-chloro-N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
5-chloro-N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 561.05 g/mol, XLogP of 6.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 22135140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).