4-methyl-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-oxopyrazine-2-carbonitrile

C20H18N8O — CID 176928372

IUPAC4-methyl-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-oxopyrazine-2-carbonitrile
SMILESCc1cccn2nc([C@H]3c4nc[nH]c4CCN3c3cnc(C#N)c(=O)n3C)cc12
InChIInChI=1S/C20H18N8O/c1-12-4-3-6-28-16(12)8-14(25-28)19-18-13(23-11-24-18)5-7-27(19)17-10-22-15(9-21)20(29)26(17)2/h3-4,6,8,10-11,19H,5,7H2,1-2H3,(H,23,24)/t19-/m0/s1
InChIKeyDEEQDRKZFLKLHN-IBGZPJMESA-N
MW386.42 g/mol
LogP1.48
Rot. Bonds2

About 4-methyl-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-oxopyrazine-2-carbonitrile

4-methyl-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-oxopyrazine-2-carbonitrile (PubChem CID 176928372) has the molecular formula C20H18N8O and a molecular weight of 386.42 g/mol. Its IUPAC name is 4-methyl-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-oxopyrazine-2-carbonitrile.

Molecular Properties

Compound Name4-methyl-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-oxopyrazine-2-carbonitrile
PubChem CID176928372
Molecular FormulaC20H18N8O
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name4-methyl-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-oxopyrazine-2-carbonitrile
SMILESCc1cccn2nc([C@H]3c4nc[nH]c4CCN3c3cnc(C#N)c(=O)n3C)cc12
InChIInChI=1S/C20H18N8O/c1-12-4-3-6-28-16(12)8-14(25-28)19-18-13(23-11-24-18)5-7-27(19)17-10-22-15(9-21)20(29)26(17)2/h3-4,6,8,10-11,19H,5,7H2,1-2H3,(H,23,24)/t19-/m0/s1
InChIKeyDEEQDRKZFLKLHN-IBGZPJMESA-N
XLogP1.48
TPSA107.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-methyl-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-oxopyrazine-2-carbonitrile with MolForge

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Related Compounds

3-amino-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carbonitrile
CID 176928285
2-methyl-6-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridine-3-carbonitrile
CID 176928797
3-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridazine-4-carbonitrile
CID 176928219
[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
2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole
CID 176928821
2-cyclopropyl-5-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 170333480
2-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 170332873
[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-[5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazol-2-yl]methanone
CID 176928515
2-(1,1-difluoroethyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 169166049
2-(1-methylcyclopropyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 169165355
2-(6-fluoro-2-pyridinyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 169166091
(4-methoxyphenyl)-[2-[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-yl]methanol
CID 177070285

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-oxopyrazine-2-carbonitrile?
The IUPAC name of 4-methyl-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-oxopyrazine-2-carbonitrile (CID 176928372) is 4-methyl-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-oxopyrazine-2-carbonitrile.
What is the SMILES notation for 4-methyl-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-oxopyrazine-2-carbonitrile?
The canonical SMILES for 4-methyl-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-oxopyrazine-2-carbonitrile is Cc1cccn2nc([C@H]3c4nc[nH]c4CCN3c3cnc(C#N)c(=O)n3C)cc12.
What is the InChIKey of 4-methyl-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-oxopyrazine-2-carbonitrile?
The InChIKey is DEEQDRKZFLKLHN-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18N8O/c1-12-4-3-6-28-16(12)8-14(25-28)19-18-13(23-11-24-18)5-7-27(19)17-10-22-15(9-21)20(29)26(17)2/h3-4,6,8,10-11,19H,5,7H2,1-2H3,(H,23,24)/t19-/m0/s1.
What are the key properties of 4-methyl-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-oxopyrazine-2-carbonitrile?
4-methyl-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-oxopyrazine-2-carbonitrile has a molecular weight of 386.42 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-oxopyrazine-2-carbonitrile is sourced from PubChem (CID 176928372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).