(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-[(4S)-4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C21H19F3N8O — CID 170333481

IUPAC(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-[(4S)-4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCn1nc(C2CC2)nc1C(=O)N1CCc2[nH]cnc2[C@H]1c1cc2cccc(C(F)(F)F)n2n1
InChIInChI=1S/C21H19F3N8O/c1-30-19(27-18(29-30)11-5-6-11)20(33)31-8-7-13-16(26-10-25-13)17(31)14-9-12-3-2-4-15(21(22,23)24)32(12)28-14/h2-4,9-11,17H,5-8H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyJYVLTZUQRSNHDR-QGZVFWFLSA-N
MW456.43 g/mol
LogP2.87
Rot. Bonds3

About (5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-[(4S)-4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-[(4S)-4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 170333481) has the molecular formula C21H19F3N8O and a molecular weight of 456.43 g/mol. Its IUPAC name is (5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-[(4S)-4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-[(4S)-4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID170333481
Molecular FormulaC21H19F3N8O
Molecular Weight456.43 g/mol
Exact Mass456.16
IUPAC Name(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-[(4S)-4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCn1nc(C2CC2)nc1C(=O)N1CCc2[nH]cnc2[C@H]1c1cc2cccc(C(F)(F)F)n2n1
InChIInChI=1S/C21H19F3N8O/c1-30-19(27-18(29-30)11-5-6-11)20(33)31-8-7-13-16(26-10-25-13)17(31)14-9-12-3-2-4-15(21(22,23)24)32(12)28-14/h2-4,9-11,17H,5-8H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyJYVLTZUQRSNHDR-QGZVFWFLSA-N
XLogP2.87
TPSA97.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-[(4S)-4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-[(4S)-4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-[(4S)-4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 170333481) is (5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-[(4S)-4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-[(4S)-4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-[(4S)-4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is Cn1nc(C2CC2)nc1C(=O)N1CCc2[nH]cnc2[C@H]1c1cc2cccc(C(F)(F)F)n2n1.
What is the InChIKey of (5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-[(4S)-4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is JYVLTZUQRSNHDR-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H19F3N8O/c1-30-19(27-18(29-30)11-5-6-11)20(33)31-8-7-13-16(26-10-25-13)17(31)14-9-12-3-2-4-15(21(22,23)24)32(12)28-14/h2-4,9-11,17H,5-8H2,1H3,(H,25,26)/t17-/m1/s1.
What are the key properties of (5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-[(4S)-4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-[(4S)-4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 456.43 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-[(4S)-4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 170333481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).