6-methyl-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione

C16H17N7O3 — CID 77085838

IUPAC6-methyl-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCc2nc(-c3cn[nH]c3)[nH]c2C1
InChIInChI=1S/C16H17N7O3/c1-8-10(15(25)22-16(26)19-8)4-13(24)23-3-2-11-12(7-23)21-14(20-11)9-5-17-18-6-9/h5-6H,2-4,7H2,1H3,(H,17,18)(H,20,21)(H2,19,22,25,26)
InChIKeyLYJGJTPUVQZCOM-UHFFFAOYSA-N
MW355.36 g/mol
LogP-0.39
Rot. Bonds3

About 6-methyl-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione

6-methyl-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 77085838) has the molecular formula C16H17N7O3 and a molecular weight of 355.36 g/mol. Its IUPAC name is 6-methyl-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione
PubChem CID77085838
Molecular FormulaC16H17N7O3
Molecular Weight355.36 g/mol
Exact Mass355.14
IUPAC Name6-methyl-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCc2nc(-c3cn[nH]c3)[nH]c2C1
InChIInChI=1S/C16H17N7O3/c1-8-10(15(25)22-16(26)19-8)4-13(24)23-3-2-11-12(7-23)21-14(20-11)9-5-17-18-6-9/h5-6H,2-4,7H2,1H3,(H,17,18)(H,20,21)(H2,19,22,25,26)
InChIKeyLYJGJTPUVQZCOM-UHFFFAOYSA-N
XLogP-0.39
TPSA143.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-methyl-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

(5-methylpyrazin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 77089555
[4-[(5-methyltetrazol-1-yl)methyl]phenyl]-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 77091366
(8-fluoroquinolin-2-yl)-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 77094001
2-(2-methoxyethoxy)-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 72891552
1-[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 91778642
6-methyl-5-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 72878302
1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)hex-3-en-1-one
CID 171134948
4-[5-(2-pyridin-2-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
CID 91778749
1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-pyrimidin-2-ylsulfanylethanone
CID 72840213
6-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 70759958
1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butane-1,2-dione
CID 72843643
5-[5-[2-[(2R)-morpholin-2-yl]acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-pyridin-2-one
CID 137098545

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione (CID 77085838) is 6-methyl-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCc2nc(-c3cn[nH]c3)[nH]c2C1.
What is the InChIKey of 6-methyl-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is LYJGJTPUVQZCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O3/c1-8-10(15(25)22-16(26)19-8)4-13(24)23-3-2-11-12(7-23)21-14(20-11)9-5-17-18-6-9/h5-6H,2-4,7H2,1H3,(H,17,18)(H,20,21)(H2,19,22,25,26).
What are the key properties of 6-methyl-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 355.36 g/mol, XLogP of -0.39, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 77085838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).