2-[3-(4-imidazol-1-ylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetamide

C17H18N6O — CID 82588418

IUPAC2-[3-(4-imidazol-1-ylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetamide
SMILESNC(=O)Cn1nc(-c2ccc(-n3ccnc3)cc2)c2c1CCNC2
InChIInChI=1S/C17H18N6O/c18-16(24)10-23-15-5-6-19-9-14(15)17(21-23)12-1-3-13(4-2-12)22-8-7-20-11-22/h1-4,7-8,11,19H,5-6,9-10H2,(H2,18,24)
InChIKeyGXZSYYMVWWSBPQ-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.87
Rot. Bonds4

About 2-[3-(4-imidazol-1-ylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetamide

2-[3-(4-imidazol-1-ylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetamide (PubChem CID 82588418) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[3-(4-imidazol-1-ylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(4-imidazol-1-ylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetamide
PubChem CID82588418
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name2-[3-(4-imidazol-1-ylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetamide
SMILESNC(=O)Cn1nc(-c2ccc(-n3ccnc3)cc2)c2c1CCNC2
InChIInChI=1S/C17H18N6O/c18-16(24)10-23-15-5-6-19-9-14(15)17(21-23)12-1-3-13(4-2-12)22-8-7-20-11-22/h1-4,7-8,11,19H,5-6,9-10H2,(H2,18,24)
InChIKeyGXZSYYMVWWSBPQ-UHFFFAOYSA-N
XLogP0.87
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-imidazol-1-ylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetamide?
The IUPAC name of 2-[3-(4-imidazol-1-ylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetamide (CID 82588418) is 2-[3-(4-imidazol-1-ylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetamide.
What is the SMILES notation for 2-[3-(4-imidazol-1-ylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetamide?
The canonical SMILES for 2-[3-(4-imidazol-1-ylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetamide is NC(=O)Cn1nc(-c2ccc(-n3ccnc3)cc2)c2c1CCNC2.
What is the InChIKey of 2-[3-(4-imidazol-1-ylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetamide?
The InChIKey is GXZSYYMVWWSBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c18-16(24)10-23-15-5-6-19-9-14(15)17(21-23)12-1-3-13(4-2-12)22-8-7-20-11-22/h1-4,7-8,11,19H,5-6,9-10H2,(H2,18,24).
What are the key properties of 2-[3-(4-imidazol-1-ylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetamide?
2-[3-(4-imidazol-1-ylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetamide has a molecular weight of 322.37 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-imidazol-1-ylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetamide is sourced from PubChem (CID 82588418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).