1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide

C20H19F3N8OS — CID 90383129

IUPAC1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
SMILESC[C@H]1CCCN1c1nc2cc(NC(=O)c3c(-c4nc(C(F)(F)F)cs4)cnn3C)ccn2n1
InChIInChI=1S/C20H19F3N8OS/c1-11-4-3-6-30(11)19-27-15-8-12(5-7-31(15)28-19)25-17(32)16-13(9-24-29(16)2)18-26-14(10-33-18)20(21,22)23/h5,7-11H,3-4,6H2,1-2H3,(H,25,32)/t11-/m0/s1
InChIKeyABVGRYCBXSFLJT-NSHDSACASA-N
MW476.49 g/mol
LogP3.85
Rot. Bonds4

About 1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide

1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide (PubChem CID 90383129) has the molecular formula C20H19F3N8OS and a molecular weight of 476.49 g/mol. Its IUPAC name is 1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
PubChem CID90383129
Molecular FormulaC20H19F3N8OS
Molecular Weight476.49 g/mol
Exact Mass476.14
IUPAC Name1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
SMILESC[C@H]1CCCN1c1nc2cc(NC(=O)c3c(-c4nc(C(F)(F)F)cs4)cnn3C)ccn2n1
InChIInChI=1S/C20H19F3N8OS/c1-11-4-3-6-30(11)19-27-15-8-12(5-7-31(15)28-19)25-17(32)16-13(9-24-29(16)2)18-26-14(10-33-18)20(21,22)23/h5,7-11H,3-4,6H2,1-2H3,(H,25,32)/t11-/m0/s1
InChIKeyABVGRYCBXSFLJT-NSHDSACASA-N
XLogP3.85
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide (CID 90383129) is 1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide is C[C@H]1CCCN1c1nc2cc(NC(=O)c3c(-c4nc(C(F)(F)F)cs4)cnn3C)ccn2n1.
What is the InChIKey of 1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The InChIKey is ABVGRYCBXSFLJT-NSHDSACASA-N. The full InChI is InChI=1S/C20H19F3N8OS/c1-11-4-3-6-30(11)19-27-15-8-12(5-7-31(15)28-19)25-17(32)16-13(9-24-29(16)2)18-26-14(10-33-18)20(21,22)23/h5,7-11H,3-4,6H2,1-2H3,(H,25,32)/t11-/m0/s1.
What are the key properties of 1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide has a molecular weight of 476.49 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 90383129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).