2-[6-[(1R)-1-[(3S)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N,N-dimethylquinoline-7-carboxamide

C24H24F3N7O — CID 71004774

IUPAC2-[6-[(1R)-1-[(3S)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N,N-dimethylquinoline-7-carboxamide
SMILESCN(C)C(=O)c1ccc2ccc(-c3nnc4ccc([C@@H](N5CC[C@H](N)C5)C(F)(F)F)cn34)nc2c1
InChIInChI=1S/C24H24F3N7O/c1-32(2)23(35)15-4-3-14-5-7-18(29-19(14)11-15)22-31-30-20-8-6-16(12-34(20)22)21(24(25,26)27)33-10-9-17(28)13-33/h3-8,11-12,17,21H,9-10,13,28H2,1-2H3/t17-,21+/m0/s1
InChIKeyFORRNIQCBQDRBR-LAUBAEHRSA-N
MW483.50 g/mol
LogP3.28
Rot. Bonds4

About 2-[6-[(1R)-1-[(3S)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N,N-dimethylquinoline-7-carboxamide

2-[6-[(1R)-1-[(3S)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N,N-dimethylquinoline-7-carboxamide (PubChem CID 71004774) has the molecular formula C24H24F3N7O and a molecular weight of 483.50 g/mol. Its IUPAC name is 2-[6-[(1R)-1-[(3S)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N,N-dimethylquinoline-7-carboxamide.

Molecular Properties

Compound Name2-[6-[(1R)-1-[(3S)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N,N-dimethylquinoline-7-carboxamide
PubChem CID71004774
Molecular FormulaC24H24F3N7O
Molecular Weight483.50 g/mol
Exact Mass483.20
IUPAC Name2-[6-[(1R)-1-[(3S)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N,N-dimethylquinoline-7-carboxamide
SMILESCN(C)C(=O)c1ccc2ccc(-c3nnc4ccc([C@@H](N5CC[C@H](N)C5)C(F)(F)F)cn34)nc2c1
InChIInChI=1S/C24H24F3N7O/c1-32(2)23(35)15-4-3-14-5-7-18(29-19(14)11-15)22-31-30-20-8-6-16(12-34(20)22)21(24(25,26)27)33-10-9-17(28)13-33/h3-8,11-12,17,21H,9-10,13,28H2,1-2H3/t17-,21+/m0/s1
InChIKeyFORRNIQCBQDRBR-LAUBAEHRSA-N
XLogP3.28
TPSA92.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-[(1R)-1-[(3S)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N,N-dimethylquinoline-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(1R)-1-[(3S)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N,N-dimethylquinoline-7-carboxamide?
The IUPAC name of 2-[6-[(1R)-1-[(3S)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N,N-dimethylquinoline-7-carboxamide (CID 71004774) is 2-[6-[(1R)-1-[(3S)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N,N-dimethylquinoline-7-carboxamide.
What is the SMILES notation for 2-[6-[(1R)-1-[(3S)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N,N-dimethylquinoline-7-carboxamide?
The canonical SMILES for 2-[6-[(1R)-1-[(3S)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N,N-dimethylquinoline-7-carboxamide is CN(C)C(=O)c1ccc2ccc(-c3nnc4ccc([C@@H](N5CC[C@H](N)C5)C(F)(F)F)cn34)nc2c1.
What is the InChIKey of 2-[6-[(1R)-1-[(3S)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N,N-dimethylquinoline-7-carboxamide?
The InChIKey is FORRNIQCBQDRBR-LAUBAEHRSA-N. The full InChI is InChI=1S/C24H24F3N7O/c1-32(2)23(35)15-4-3-14-5-7-18(29-19(14)11-15)22-31-30-20-8-6-16(12-34(20)22)21(24(25,26)27)33-10-9-17(28)13-33/h3-8,11-12,17,21H,9-10,13,28H2,1-2H3/t17-,21+/m0/s1.
What are the key properties of 2-[6-[(1R)-1-[(3S)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N,N-dimethylquinoline-7-carboxamide?
2-[6-[(1R)-1-[(3S)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N,N-dimethylquinoline-7-carboxamide has a molecular weight of 483.50 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(1R)-1-[(3S)-3-aminopyrrolidin-1-yl]-2,2,2-trifluoroethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N,N-dimethylquinoline-7-carboxamide is sourced from PubChem (CID 71004774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).