[2-[4-(1-aminocyclobutyl)phenyl]-8-cyano-3-phenylimidazo[1,2-a]pyridin-7-yl] methanimidate

C25H21N5O — CID 163636759

IUPAC[2-[4-(1-aminocyclobutyl)phenyl]-8-cyano-3-phenylimidazo[1,2-a]pyridin-7-yl] methanimidate
SMILES[H]/N=C/Oc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1C#N
InChIInChI=1S/C25H21N5O/c26-15-20-21(31-16-27)11-14-30-23(18-5-2-1-3-6-18)22(29-24(20)30)17-7-9-19(10-8-17)25(28)12-4-13-25/h1-3,5-11,14,16,27H,4,12-13,28H2/b27-16+
InChIKeyIAUFBRGYCQDVES-JVWAILMASA-N
MW407.48 g/mol
LogP4.86
Rot. Bonds5

About [2-[4-(1-aminocyclobutyl)phenyl]-8-cyano-3-phenylimidazo[1,2-a]pyridin-7-yl] methanimidate

[2-[4-(1-aminocyclobutyl)phenyl]-8-cyano-3-phenylimidazo[1,2-a]pyridin-7-yl] methanimidate (PubChem CID 163636759) has the molecular formula C25H21N5O and a molecular weight of 407.48 g/mol. Its IUPAC name is [2-[4-(1-aminocyclobutyl)phenyl]-8-cyano-3-phenylimidazo[1,2-a]pyridin-7-yl] methanimidate.

Molecular Properties

Compound Name[2-[4-(1-aminocyclobutyl)phenyl]-8-cyano-3-phenylimidazo[1,2-a]pyridin-7-yl] methanimidate
PubChem CID163636759
Molecular FormulaC25H21N5O
Molecular Weight407.48 g/mol
Exact Mass407.17
IUPAC Name[2-[4-(1-aminocyclobutyl)phenyl]-8-cyano-3-phenylimidazo[1,2-a]pyridin-7-yl] methanimidate
SMILES[H]/N=C/Oc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1C#N
InChIInChI=1S/C25H21N5O/c26-15-20-21(31-16-27)11-14-30-23(18-5-2-1-3-6-18)22(29-24(20)30)17-7-9-19(10-8-17)25(28)12-4-13-25/h1-3,5-11,14,16,27H,4,12-13,28H2/b27-16+
InChIKeyIAUFBRGYCQDVES-JVWAILMASA-N
XLogP4.86
TPSA100.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[4-(8-fluoro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutan-1-amine
CID 56644616
1-[4-(8-cyclopropyl-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutan-1-amine
CID 56644826
2-[4-(1-aminocyclobutyl)phenyl]-N-methyl-3-phenylimidazo[1,2-a]pyridin-7-amine
CID 123220669
1-[4-[7-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine
CID 56644192
2-[4-(1-aminocyclobutyl)phenyl]-6-bromo-3-phenylimidazo[1,2-a]pyridine-8-carboxamide
CID 66665522
1-[4-(6-methoxy-7,8-dimethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine
CID 70818207
1-[4-(6,8-diethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine
CID 70818486
1-[4-[7,8-dimethyl-3-phenyl-6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine
CID 66665212
1-[4-(6-ethyl-8-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine
CID 70817988
7-[4-(1-aminocyclobutyl)phenyl]-6-phenylimidazo[1,2-a]pyrimidine-3-carbonitrile
CID 46927162
1-[4-[6-(1H-imidazol-5-yl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine
CID 66669251
2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-N-propylimidazo[1,2-a]pyridine-6-carboxamide
CID 66665901

Frequently Asked Questions

What is the IUPAC name of [2-[4-(1-aminocyclobutyl)phenyl]-8-cyano-3-phenylimidazo[1,2-a]pyridin-7-yl] methanimidate?
The IUPAC name of [2-[4-(1-aminocyclobutyl)phenyl]-8-cyano-3-phenylimidazo[1,2-a]pyridin-7-yl] methanimidate (CID 163636759) is [2-[4-(1-aminocyclobutyl)phenyl]-8-cyano-3-phenylimidazo[1,2-a]pyridin-7-yl] methanimidate.
What is the SMILES notation for [2-[4-(1-aminocyclobutyl)phenyl]-8-cyano-3-phenylimidazo[1,2-a]pyridin-7-yl] methanimidate?
The canonical SMILES for [2-[4-(1-aminocyclobutyl)phenyl]-8-cyano-3-phenylimidazo[1,2-a]pyridin-7-yl] methanimidate is [H]/N=C/Oc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1C#N.
What is the InChIKey of [2-[4-(1-aminocyclobutyl)phenyl]-8-cyano-3-phenylimidazo[1,2-a]pyridin-7-yl] methanimidate?
The InChIKey is IAUFBRGYCQDVES-JVWAILMASA-N. The full InChI is InChI=1S/C25H21N5O/c26-15-20-21(31-16-27)11-14-30-23(18-5-2-1-3-6-18)22(29-24(20)30)17-7-9-19(10-8-17)25(28)12-4-13-25/h1-3,5-11,14,16,27H,4,12-13,28H2/b27-16+.
What are the key properties of [2-[4-(1-aminocyclobutyl)phenyl]-8-cyano-3-phenylimidazo[1,2-a]pyridin-7-yl] methanimidate?
[2-[4-(1-aminocyclobutyl)phenyl]-8-cyano-3-phenylimidazo[1,2-a]pyridin-7-yl] methanimidate has a molecular weight of 407.48 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(1-aminocyclobutyl)phenyl]-8-cyano-3-phenylimidazo[1,2-a]pyridin-7-yl] methanimidate is sourced from PubChem (CID 163636759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).