N-[5-(cyclohepta-1,4,6-trien-1-ylmethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,1-diphenylmethanimine

C28H23N3 — CID 142877434

IUPACN-[5-(cyclohepta-1,4,6-trien-1-ylmethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,1-diphenylmethanimine
SMILESC1=CCC=C(Cc2cc(N=C(c3ccccc3)c3ccccc3)n3nccc3c2)C=C1
InChIInChI=1S/C28H23N3/c1-2-6-12-22(11-5-1)19-23-20-26-17-18-29-31(26)27(21-23)30-28(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h1-5,7-18,20-21H,6,19H2
InChIKeyUCKNXCCEMZWNII-UHFFFAOYSA-N
MW401.51 g/mol
LogP6.49
Rot. Bonds5

About N-[5-(cyclohepta-1,4,6-trien-1-ylmethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,1-diphenylmethanimine

N-[5-(cyclohepta-1,4,6-trien-1-ylmethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,1-diphenylmethanimine (PubChem CID 142877434) has the molecular formula C28H23N3 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[5-(cyclohepta-1,4,6-trien-1-ylmethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[5-(cyclohepta-1,4,6-trien-1-ylmethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,1-diphenylmethanimine
PubChem CID142877434
Molecular FormulaC28H23N3
Molecular Weight401.51 g/mol
Exact Mass401.19
IUPAC NameN-[5-(cyclohepta-1,4,6-trien-1-ylmethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,1-diphenylmethanimine
SMILESC1=CCC=C(Cc2cc(N=C(c3ccccc3)c3ccccc3)n3nccc3c2)C=C1
InChIInChI=1S/C28H23N3/c1-2-6-12-22(11-5-1)19-23-20-26-17-18-29-31(26)27(21-23)30-28(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h1-5,7-18,20-21H,6,19H2
InChIKeyUCKNXCCEMZWNII-UHFFFAOYSA-N
XLogP6.49
TPSA29.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-benzylcyclohepta-1,3,5-triene;N,N-diethyl-2-methoxyethanamine;ethane
CID 167452670
N-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]-1,1-diphenylmethanimine
CID 169161320
[[2-(cyclopenta-1,4-dien-1-ylmethyl)cyclopenta-2,4-dien-1-ylidene]-phenylmethyl]benzene
CID 173171770
N-cyclohexa-1,5-dien-1-yl-1,1-diphenylmethanimine
CID 175731651
2-[(3-cyclohepta-1,4,6-trien-1-yl-5-phenylphenyl)methyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 91515561
N-[4-[C-[4-(benzhydrylideneamino)phenyl]-N-[4-[[4,8,11-tris[[4-[bis[4-(benzhydrylideneamino)phenyl]methylideneamino]phenyl]methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]phenyl]carbonimidoyl]phenyl]-1,1-diphenylmethanimine
CID 101258821
2-pyrazolo[1,5-a]pyridin-5-ylethanol
CID 59476221
N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylidenebenzenecarboximidamide
CID 144816078
6-(benzhydrylideneamino)-N-methyl-3-(triazol-2-yl)pyridin-2-amine
CID 156539691
N-[3,5-bis[[phenyl-(4-pyridin-2-ylphenyl)methylidene]amino]phenyl]-1-phenyl-1-(4-pyridin-2-ylphenyl)methanimine
CID 140904704
1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine
CID 101245464
N-[8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1,1-diphenylmethanimine
CID 166508098

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohepta-1,4,6-trien-1-ylmethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,1-diphenylmethanimine?
The IUPAC name of N-[5-(cyclohepta-1,4,6-trien-1-ylmethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,1-diphenylmethanimine (CID 142877434) is N-[5-(cyclohepta-1,4,6-trien-1-ylmethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[5-(cyclohepta-1,4,6-trien-1-ylmethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[5-(cyclohepta-1,4,6-trien-1-ylmethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,1-diphenylmethanimine is C1=CCC=C(Cc2cc(N=C(c3ccccc3)c3ccccc3)n3nccc3c2)C=C1.
What is the InChIKey of N-[5-(cyclohepta-1,4,6-trien-1-ylmethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,1-diphenylmethanimine?
The InChIKey is UCKNXCCEMZWNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3/c1-2-6-12-22(11-5-1)19-23-20-26-17-18-29-31(26)27(21-23)30-28(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h1-5,7-18,20-21H,6,19H2.
What are the key properties of N-[5-(cyclohepta-1,4,6-trien-1-ylmethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,1-diphenylmethanimine?
N-[5-(cyclohepta-1,4,6-trien-1-ylmethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,1-diphenylmethanimine has a molecular weight of 401.51 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohepta-1,4,6-trien-1-ylmethyl)pyrazolo[1,5-a]pyridin-7-yl]-1,1-diphenylmethanimine is sourced from PubChem (CID 142877434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).