1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-cyclopentylpiperidine-3-carboxamide

C18H23F3N6O — CID 130362838

IUPAC1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-cyclopentylpiperidine-3-carboxamide
SMILESNc1ncnn2c(N3CCCC(C(=O)NC4CCCC4)C3)cc(C(F)(F)F)c12
InChIInChI=1S/C18H23F3N6O/c19-18(20,21)13-8-14(27-15(13)16(22)23-10-24-27)26-7-3-4-11(9-26)17(28)25-12-5-1-2-6-12/h8,10-12H,1-7,9H2,(H,25,28)(H2,22,23,24)
InChIKeyQPVFXVUQJFLVSD-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.61
Rot. Bonds3

About 1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-cyclopentylpiperidine-3-carboxamide

1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-cyclopentylpiperidine-3-carboxamide (PubChem CID 130362838) has the molecular formula C18H23F3N6O and a molecular weight of 396.42 g/mol. Its IUPAC name is 1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-cyclopentylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-cyclopentylpiperidine-3-carboxamide
PubChem CID130362838
Molecular FormulaC18H23F3N6O
Molecular Weight396.42 g/mol
Exact Mass396.19
IUPAC Name1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-cyclopentylpiperidine-3-carboxamide
SMILESNc1ncnn2c(N3CCCC(C(=O)NC4CCCC4)C3)cc(C(F)(F)F)c12
InChIInChI=1S/C18H23F3N6O/c19-18(20,21)13-8-14(27-15(13)16(22)23-10-24-27)26-7-3-4-11(9-26)17(28)25-12-5-1-2-6-12/h8,10-12H,1-7,9H2,(H,25,28)(H2,22,23,24)
InChIKeyQPVFXVUQJFLVSD-UHFFFAOYSA-N
XLogP2.61
TPSA88.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-cyclopentylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-cyclopentylpiperidine-3-carboxamide (CID 130362838) is 1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-cyclopentylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-cyclopentylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-cyclopentylpiperidine-3-carboxamide is Nc1ncnn2c(N3CCCC(C(=O)NC4CCCC4)C3)cc(C(F)(F)F)c12.
What is the InChIKey of 1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-cyclopentylpiperidine-3-carboxamide?
The InChIKey is QPVFXVUQJFLVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N6O/c19-18(20,21)13-8-14(27-15(13)16(22)23-10-24-27)26-7-3-4-11(9-26)17(28)25-12-5-1-2-6-12/h8,10-12H,1-7,9H2,(H,25,28)(H2,22,23,24).
What are the key properties of 1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-cyclopentylpiperidine-3-carboxamide?
1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-cyclopentylpiperidine-3-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-cyclopentylpiperidine-3-carboxamide is sourced from PubChem (CID 130362838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).