N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C25H27F3N6O3 — CID 118172660

IUPACN-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(CC(=O)N3CCN(CC4CC4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C25H27F3N6O3/c1-37-21-12-19-17(11-20(21)30-24(36)18-3-2-4-22(29-18)25(26,27)28)14-34(31-19)15-23(35)33-9-7-32(8-10-33)13-16-5-6-16/h2-4,11-12,14,16H,5-10,13,15H2,1H3,(H,30,36)
InChIKeyBFCMYGQKWPNLCS-UHFFFAOYSA-N
MW516.52 g/mol
LogP3.27
Rot. Bonds7

About N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118172660) has the molecular formula C25H27F3N6O3 and a molecular weight of 516.52 g/mol. Its IUPAC name is N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118172660
Molecular FormulaC25H27F3N6O3
Molecular Weight516.52 g/mol
Exact Mass516.21
IUPAC NameN-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(CC(=O)N3CCN(CC4CC4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C25H27F3N6O3/c1-37-21-12-19-17(11-20(21)30-24(36)18-3-2-4-22(29-18)25(26,27)28)14-34(31-19)15-23(35)33-9-7-32(8-10-33)13-16-5-6-16/h2-4,11-12,14,16H,5-10,13,15H2,1H3,(H,30,36)
InChIKeyBFCMYGQKWPNLCS-UHFFFAOYSA-N
XLogP3.27
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9951086, Example 68
CID 118173098
N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 11057969
N-[1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
CID 50898239
US9951086, Example 220
CID 118172527
US9951086, Example 46
CID 118172648
US9951086, Example 69
CID 118172658
US9951086, Example 221
CID 118172833
US9951086, Example 12
CID 118172938
US9951086, Example 248
CID 118172992
US9951086, Example 65
CID 118173075
US9951086, Example 64
CID 118173110
US9951086, Example 274
CID 118173136

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118172660) is N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1cc2nn(CC(=O)N3CCN(CC4CC4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is BFCMYGQKWPNLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N6O3/c1-37-21-12-19-17(11-20(21)30-24(36)18-3-2-4-22(29-18)25(26,27)28)14-34(31-19)15-23(35)33-9-7-32(8-10-33)13-16-5-6-16/h2-4,11-12,14,16H,5-10,13,15H2,1H3,(H,30,36).
What are the key properties of N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 516.52 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118172660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).