6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-5-yl]pyridine-2-carboxamide

C25H25F3N8O2 — CID 118173213

IUPAC6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-5-yl]pyridine-2-carboxamide
SMILESCn1cc(-c2cccc(C(=O)Nc3ccc4nn(CC(=O)N5CCN(CC(F)(F)F)CC5)cc4c3)n2)cn1
InChIInChI=1S/C25H25F3N8O2/c1-33-13-18(12-29-33)20-3-2-4-22(31-20)24(38)30-19-5-6-21-17(11-19)14-36(32-21)15-23(37)35-9-7-34(8-10-35)16-25(26,27)28/h2-6,11-14H,7-10,15-16H2,1H3,(H,30,38)
InChIKeyKXHXCMIPXJHSRX-UHFFFAOYSA-N
MW526.52 g/mol
LogP2.79
Rot. Bonds6

About 6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-5-yl]pyridine-2-carboxamide

6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-5-yl]pyridine-2-carboxamide (PubChem CID 118173213) has the molecular formula C25H25F3N8O2 and a molecular weight of 526.52 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-5-yl]pyridine-2-carboxamide
PubChem CID118173213
Molecular FormulaC25H25F3N8O2
Molecular Weight526.52 g/mol
Exact Mass526.21
IUPAC Name6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-5-yl]pyridine-2-carboxamide
SMILESCn1cc(-c2cccc(C(=O)Nc3ccc4nn(CC(=O)N5CCN(CC(F)(F)F)CC5)cc4c3)n2)cn1
InChIInChI=1S/C25H25F3N8O2/c1-33-13-18(12-29-33)20-3-2-4-22(31-20)24(38)30-19-5-6-21-17(11-19)14-36(32-21)15-23(37)35-9-7-34(8-10-35)16-25(26,27)28/h2-6,11-14H,7-10,15-16H2,1H3,(H,30,38)
InChIKeyKXHXCMIPXJHSRX-UHFFFAOYSA-N
XLogP2.79
TPSA101.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.52
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-5-yl]pyridine-2-carboxamide (CID 118173213) is 6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-5-yl]pyridine-2-carboxamide is Cn1cc(-c2cccc(C(=O)Nc3ccc4nn(CC(=O)N5CCN(CC(F)(F)F)CC5)cc4c3)n2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is KXHXCMIPXJHSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N8O2/c1-33-13-18(12-29-33)20-3-2-4-22(31-20)24(38)30-19-5-6-21-17(11-19)14-36(32-21)15-23(37)35-9-7-34(8-10-35)16-25(26,27)28/h2-6,11-14H,7-10,15-16H2,1H3,(H,30,38).
What are the key properties of 6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-5-yl]pyridine-2-carboxamide?
6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 526.52 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-N-[2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118173213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).