N-(6-imidazol-1-yl-3-pyridinyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide

C23H22N6O — CID 55774436

IUPACN-(6-imidazol-1-yl-3-pyridinyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)nc1)c1nn(-c2ccccc2)c2c1CCCCC2
InChIInChI=1S/C23H22N6O/c30-23(26-17-11-12-21(25-15-17)28-14-13-24-16-28)22-19-9-5-2-6-10-20(19)29(27-22)18-7-3-1-4-8-18/h1,3-4,7-8,11-16H,2,5-6,9-10H2,(H,26,30)
InChIKeyNWVOXNJOFHKVHQ-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.97
Rot. Bonds4

About N-(6-imidazol-1-yl-3-pyridinyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide

N-(6-imidazol-1-yl-3-pyridinyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide (PubChem CID 55774436) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is N-(6-imidazol-1-yl-3-pyridinyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-imidazol-1-yl-3-pyridinyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
PubChem CID55774436
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC NameN-(6-imidazol-1-yl-3-pyridinyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)nc1)c1nn(-c2ccccc2)c2c1CCCCC2
InChIInChI=1S/C23H22N6O/c30-23(26-17-11-12-21(25-15-17)28-14-13-24-16-28)22-19-9-5-2-6-10-20(19)29(27-22)18-7-3-1-4-8-18/h1,3-4,7-8,11-16H,2,5-6,9-10H2,(H,26,30)
InChIKeyNWVOXNJOFHKVHQ-UHFFFAOYSA-N
XLogP3.97
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-imidazol-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 35438277
N-[3-(carbamoylamino)phenyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 55824157
1-phenyl-N'-pyrimidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide
CID 51119740
2-[(1-phenyl-4,5,6,7-tetrahydroindazole-3-carbonyl)amino]acetic acid
CID 175587571
N-(2-hydroxyethyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 78888197
N-[5-fluoro-2-(pyridine-2-carbonylamino)phenyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 55984574
1-phenyl-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374225
1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374242
N-(6-imidazol-1-yl-3-pyridinyl)-2-phenoxybenzamide
CID 39567819
N-(6-imidazol-1-yl-3-pyridinyl)-1H-pyrazole-4-carboxamide
CID 60965851
N-[2-(methanesulfonamido)phenyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 51122191
N'-benzoyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 46682483

Frequently Asked Questions

What is the IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide (CID 55774436) is N-(6-imidazol-1-yl-3-pyridinyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(6-imidazol-1-yl-3-pyridinyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(6-imidazol-1-yl-3-pyridinyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide is O=C(Nc1ccc(-n2ccnc2)nc1)c1nn(-c2ccccc2)c2c1CCCCC2.
What is the InChIKey of N-(6-imidazol-1-yl-3-pyridinyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide?
The InChIKey is NWVOXNJOFHKVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c30-23(26-17-11-12-21(25-15-17)28-14-13-24-16-28)22-19-9-5-2-6-10-20(19)29(27-22)18-7-3-1-4-8-18/h1,3-4,7-8,11-16H,2,5-6,9-10H2,(H,26,30).
What are the key properties of N-(6-imidazol-1-yl-3-pyridinyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide?
N-(6-imidazol-1-yl-3-pyridinyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-imidazol-1-yl-3-pyridinyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 55774436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).