N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-5-carboxamide

C18H20N6O — CID 167915147

IUPACN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-5-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)C3Cc4cn[nH]c4CN3)cc2)c1C
InChIInChI=1S/C18H20N6O/c1-11-12(2)24(10-20-11)15-5-3-14(4-6-15)22-18(25)16-7-13-8-21-23-17(13)9-19-16/h3-6,8,10,16,19H,7,9H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyBSTGHADKLFWQHJ-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.87
Rot. Bonds3

About N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-5-carboxamide

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 167915147) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-5-carboxamide
PubChem CID167915147
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-5-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)C3Cc4cn[nH]c4CN3)cc2)c1C
InChIInChI=1S/C18H20N6O/c1-11-12(2)24(10-20-11)15-5-3-14(4-6-15)22-18(25)16-7-13-8-21-23-17(13)9-19-16/h3-6,8,10,16,19H,7,9H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyBSTGHADKLFWQHJ-UHFFFAOYSA-N
XLogP1.87
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]morpholine-3-carboxamide
CID 166299163
N-(5-ethoxy-6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-5-carboxamide
CID 167868993
2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide
CID 166244572
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,1-dioxothiazinane-6-carboxamide
CID 166259664
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-methylsulfonylcyclohexane-1-carboxamide
CID 166251163
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 166215479
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-imidazol-1-ylcyclobutane-1-carboxamide
CID 166278294
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 166248205
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
CID 166285379
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-3-carboxamide
CID 167905834
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 166215680
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166215592

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-5-carboxamide?
The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-5-carboxamide (CID 167915147) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-5-carboxamide?
The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-5-carboxamide is Cc1ncn(-c2ccc(NC(=O)C3Cc4cn[nH]c4CN3)cc2)c1C.
What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-5-carboxamide?
The InChIKey is BSTGHADKLFWQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-11-12(2)24(10-20-11)15-5-3-14(4-6-15)22-18(25)16-7-13-8-21-23-17(13)9-19-16/h3-6,8,10,16,19H,7,9H2,1-2H3,(H,21,23)(H,22,25).
What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-5-carboxamide?
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 167915147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).