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6-methoxy-N-[1-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrazol-4-yl]-1H-indole-2-carboxamide

C26H24F3N5O4 — CID 171681122

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-methoxy-N-[1-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrazol-4-yl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3cnn(C4CCN(C(=O)c5ccc(OC(F)(F)F)cc5)CC4)c3)[nH]c2c1
InChIInChI=1S/C26H24F3N5O4/c1-37-21-7-4-17-12-23(32-22(17)13-21)24(35)31-18-14-30-34(15-18)19-8-10-33(11-9-19)25(36)16-2-5-20(6-3-16)38-26(27,28)29/h2-7,12-15,19,32H,8-11H2,1H3,(H,31,35)
InChIKeyPYZGDJYLLITRMQ-UHFFFAOYSA-N
MW527.50 g/mol
LogP5.00
Rot. Bonds6

About 6-methoxy-N-[1-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrazol-4-yl]-1H-indole-2-carboxamide

6-methoxy-N-[1-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrazol-4-yl]-1H-indole-2-carboxamide (PubChem CID 171681122) has the molecular formula C26H24F3N5O4 and a molecular weight of 527.50 g/mol. Its IUPAC name is 6-methoxy-N-[1-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrazol-4-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[1-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrazol-4-yl]-1H-indole-2-carboxamide
PubChem CID171681122
Molecular FormulaC26H24F3N5O4
Molecular Weight527.50 g/mol
Exact Mass527.18
IUPAC Name6-methoxy-N-[1-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrazol-4-yl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3cnn(C4CCN(C(=O)c5ccc(OC(F)(F)F)cc5)CC4)c3)[nH]c2c1
InChIInChI=1S/C26H24F3N5O4/c1-37-21-7-4-17-12-23(32-22(17)13-21)24(35)31-18-14-30-34(15-18)19-8-10-33(11-9-19)25(36)16-2-5-20(6-3-16)38-26(27,28)29/h2-7,12-15,19,32H,8-11H2,1H3,(H,31,35)
InChIKeyPYZGDJYLLITRMQ-UHFFFAOYSA-N
XLogP5.00
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.50
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[1-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrazol-4-yl]-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-N-[1-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrazol-4-yl]-1H-indole-2-carboxamide (CID 171681122) is 6-methoxy-N-[1-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrazol-4-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[1-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrazol-4-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[1-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrazol-4-yl]-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)Nc3cnn(C4CCN(C(=O)c5ccc(OC(F)(F)F)cc5)CC4)c3)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-[1-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrazol-4-yl]-1H-indole-2-carboxamide?
The InChIKey is PYZGDJYLLITRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O4/c1-37-21-7-4-17-12-23(32-22(17)13-21)24(35)31-18-14-30-34(15-18)19-8-10-33(11-9-19)25(36)16-2-5-20(6-3-16)38-26(27,28)29/h2-7,12-15,19,32H,8-11H2,1H3,(H,31,35).
What are the key properties of 6-methoxy-N-[1-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrazol-4-yl]-1H-indole-2-carboxamide?
6-methoxy-N-[1-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrazol-4-yl]-1H-indole-2-carboxamide has a molecular weight of 527.50 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[1-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrazol-4-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 171681122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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