(2,5-dimethyl-1,2,4-triazol-3-yl)-[(4S)-4-(4-methoxypyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C19H20N8O2 — CID 169166408

IUPAC(2,5-dimethyl-1,2,4-triazol-3-yl)-[(4S)-4-(4-methoxypyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1cccn2nc([C@@H]3c4nc[nH]c4CCN3C(=O)c3nc(C)nn3C)cc12
InChIInChI=1S/C19H20N8O2/c1-11-22-18(25(2)23-11)19(28)26-8-6-12-16(21-10-20-12)17(26)13-9-14-15(29-3)5-4-7-27(14)24-13/h4-5,7,9-10,17H,6,8H2,1-3H3,(H,20,21)/t17-/m1/s1
InChIKeyUBXYYYVODLDEAK-QGZVFWFLSA-N
MW392.42 g/mol
LogP1.29
Rot. Bonds3

About (2,5-dimethyl-1,2,4-triazol-3-yl)-[(4S)-4-(4-methoxypyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

(2,5-dimethyl-1,2,4-triazol-3-yl)-[(4S)-4-(4-methoxypyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 169166408) has the molecular formula C19H20N8O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is (2,5-dimethyl-1,2,4-triazol-3-yl)-[(4S)-4-(4-methoxypyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethyl-1,2,4-triazol-3-yl)-[(4S)-4-(4-methoxypyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID169166408
Molecular FormulaC19H20N8O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name(2,5-dimethyl-1,2,4-triazol-3-yl)-[(4S)-4-(4-methoxypyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1cccn2nc([C@@H]3c4nc[nH]c4CCN3C(=O)c3nc(C)nn3C)cc12
InChIInChI=1S/C19H20N8O2/c1-11-22-18(25(2)23-11)19(28)26-8-6-12-16(21-10-20-12)17(26)13-9-14-15(29-3)5-4-7-27(14)24-13/h4-5,7,9-10,17H,6,8H2,1-3H3,(H,20,21)/t17-/m1/s1
InChIKeyUBXYYYVODLDEAK-QGZVFWFLSA-N
XLogP1.29
TPSA106.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

(5-chloro-2-methyl-1,2,4-triazol-3-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332439
[(4R)-4-(4-methoxypyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 169166417
[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169164940
[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-(4-methoxypyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165865
[4-[4-(difluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 170332661
[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 169166144
(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-[4-(trifluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332924
[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 170333525
1,3-benzothiazol-2-yl-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165934
(5-methyl-1,3,4-oxadiazol-2-yl)-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332974
[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 170333082
[4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 170332389

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1,2,4-triazol-3-yl)-[(4S)-4-(4-methoxypyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (2,5-dimethyl-1,2,4-triazol-3-yl)-[(4S)-4-(4-methoxypyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 169166408) is (2,5-dimethyl-1,2,4-triazol-3-yl)-[(4S)-4-(4-methoxypyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2,5-dimethyl-1,2,4-triazol-3-yl)-[(4S)-4-(4-methoxypyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (2,5-dimethyl-1,2,4-triazol-3-yl)-[(4S)-4-(4-methoxypyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is COc1cccn2nc([C@@H]3c4nc[nH]c4CCN3C(=O)c3nc(C)nn3C)cc12.
What is the InChIKey of (2,5-dimethyl-1,2,4-triazol-3-yl)-[(4S)-4-(4-methoxypyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is UBXYYYVODLDEAK-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N8O2/c1-11-22-18(25(2)23-11)19(28)26-8-6-12-16(21-10-20-12)17(26)13-9-14-15(29-3)5-4-7-27(14)24-13/h4-5,7,9-10,17H,6,8H2,1-3H3,(H,20,21)/t17-/m1/s1.
What are the key properties of (2,5-dimethyl-1,2,4-triazol-3-yl)-[(4S)-4-(4-methoxypyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
(2,5-dimethyl-1,2,4-triazol-3-yl)-[(4S)-4-(4-methoxypyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 392.42 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1,2,4-triazol-3-yl)-[(4S)-4-(4-methoxypyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 169166408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).