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

C24H25F3N6O2 — CID 118172801

IUPACN-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2nn(CC(=O)N3CCN(CC4CC4)CC3)cc2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C24H25F3N6O2/c25-24(26,27)21-3-1-2-20(29-21)23(35)28-18-6-7-19-17(12-18)14-33(30-19)15-22(34)32-10-8-31(9-11-32)13-16-4-5-16/h1-3,6-7,12,14,16H,4-5,8-11,13,15H2,(H,28,35)
InChIKeyDIOJRRJPXAJASD-UHFFFAOYSA-N
MW486.50 g/mol
LogP3.26
Rot. Bonds6

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

N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118172801) has the molecular formula C24H25F3N6O2 and a molecular weight of 486.50 g/mol. Its IUPAC name is N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118172801
Molecular FormulaC24H25F3N6O2
Molecular Weight486.50 g/mol
Exact Mass486.20
IUPAC NameN-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2nn(CC(=O)N3CCN(CC4CC4)CC3)cc2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C24H25F3N6O2/c25-24(26,27)21-3-1-2-20(29-21)23(35)28-18-6-7-19-17(12-18)14-33(30-19)15-22(34)32-10-8-31(9-11-32)13-16-4-5-16/h1-3,6-7,12,14,16H,4-5,8-11,13,15H2,(H,28,35)
InChIKeyDIOJRRJPXAJASD-UHFFFAOYSA-N
XLogP3.26
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118172801) is N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1ccc2nn(CC(=O)N3CCN(CC4CC4)CC3)cc2c1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is DIOJRRJPXAJASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O2/c25-24(26,27)21-3-1-2-20(29-21)23(35)28-18-6-7-19-17(12-18)14-33(30-19)15-22(34)32-10-8-31(9-11-32)13-16-4-5-16/h1-3,6-7,12,14,16H,4-5,8-11,13,15H2,(H,28,35).
What are the key properties of N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 486.50 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118172801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).