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

C17H16FN5O — CID 53185496

IUPAC1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C17H16FN5O/c18-13-3-1-12(2-4-13)17-14-9-23(7-5-15(14)20-21-17)16(24)10-22-8-6-19-11-22/h1-4,6,8,11H,5,7,9-10H2,(H,20,21)
InChIKeyCKKXQZUUEQMPSM-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.00
Rot. Bonds3

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

1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-imidazol-1-ylethanone (PubChem CID 53185496) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-imidazol-1-ylethanone
PubChem CID53185496
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C17H16FN5O/c18-13-3-1-12(2-4-13)17-14-9-23(7-5-15(14)20-21-17)16(24)10-22-8-6-19-11-22/h1-4,6,8,11H,5,7,9-10H2,(H,20,21)
InChIKeyCKKXQZUUEQMPSM-UHFFFAOYSA-N
XLogP2.00
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-imidazol-1-ylethanone?
The IUPAC name of 1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-imidazol-1-ylethanone (CID 53185496) is 1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-imidazol-1-ylethanone?
The canonical SMILES for 1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-imidazol-1-ylethanone is O=C(Cn1ccnc1)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-imidazol-1-ylethanone?
The InChIKey is CKKXQZUUEQMPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c18-13-3-1-12(2-4-13)17-14-9-23(7-5-15(14)20-21-17)16(24)10-22-8-6-19-11-22/h1-4,6,8,11H,5,7,9-10H2,(H,20,21).
What are the key properties of 1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-imidazol-1-ylethanone?
1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-imidazol-1-ylethanone has a molecular weight of 325.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-imidazol-1-ylethanone is sourced from PubChem (CID 53185496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).