1-(4-fluorophenyl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide

C17H16FN5O — CID 95137538

IUPAC1-(4-fluorophenyl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide
SMILESO=C(N[C@H]1CCc2nccn2C1)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H16FN5O/c18-12-1-4-14(5-2-12)23-9-7-15(21-23)17(24)20-13-3-6-16-19-8-10-22(16)11-13/h1-2,4-5,7-10,13H,3,6,11H2,(H,20,24)/t13-/m0/s1
InChIKeyULZQUJWOYBGAPC-ZDUSSCGKSA-N
MW325.35 g/mol
LogP1.95
Rot. Bonds3

About 1-(4-fluorophenyl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide

1-(4-fluorophenyl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide (PubChem CID 95137538) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide
PubChem CID95137538
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name1-(4-fluorophenyl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide
SMILESO=C(N[C@H]1CCc2nccn2C1)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H16FN5O/c18-12-1-4-14(5-2-12)23-9-7-15(21-23)17(24)20-13-3-6-16-19-8-10-22(16)11-13/h1-2,4-5,7-10,13H,3,6,11H2,(H,20,24)/t13-/m0/s1
InChIKeyULZQUJWOYBGAPC-ZDUSSCGKSA-N
XLogP1.95
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide (CID 95137538) is 1-(4-fluorophenyl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide is O=C(N[C@H]1CCc2nccn2C1)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide?
The InChIKey is ULZQUJWOYBGAPC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H16FN5O/c18-12-1-4-14(5-2-12)23-9-7-15(21-23)17(24)20-13-3-6-16-19-8-10-22(16)11-13/h1-2,4-5,7-10,13H,3,6,11H2,(H,20,24)/t13-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide has a molecular weight of 325.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 95137538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).