1-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylideneamino]cyclopropane-1-carboxylate

C19H15ClN3O2- — CID 138111535

IUPAC1-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylideneamino]cyclopropane-1-carboxylate
SMILESCc1ccn2c(/C=N/C3(C(=O)[O-])CC3)c(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C19H16ClN3O2/c1-12-6-9-23-15(11-21-19(7-8-19)18(24)25)17(22-16(23)10-12)13-2-4-14(20)5-3-13/h2-6,9-11H,7-8H2,1H3,(H,24,25)/p-1/b21-11+
InChIKeyYRTMZLABHIVERH-SRZZPIQSSA-M
MW352.80 g/mol
LogP2.66
Rot. Bonds4

About 1-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylideneamino]cyclopropane-1-carboxylate

1-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylideneamino]cyclopropane-1-carboxylate (PubChem CID 138111535) has the molecular formula C19H15ClN3O2- and a molecular weight of 352.80 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylideneamino]cyclopropane-1-carboxylate.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylideneamino]cyclopropane-1-carboxylate
PubChem CID138111535
Molecular FormulaC19H15ClN3O2-
Molecular Weight352.80 g/mol
Exact Mass352.09
IUPAC Name1-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylideneamino]cyclopropane-1-carboxylate
SMILESCc1ccn2c(/C=N/C3(C(=O)[O-])CC3)c(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C19H16ClN3O2/c1-12-6-9-23-15(11-21-19(7-8-19)18(24)25)17(22-16(23)10-12)13-2-4-14(20)5-3-13/h2-6,9-11H,7-8H2,1H3,(H,24,25)/p-1/b21-11+
InChIKeyYRTMZLABHIVERH-SRZZPIQSSA-M
XLogP2.66
TPSA69.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7015432
3-(chloromethyl)-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine
CID 39133020
7-methyl-2-(4-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 44726067
1-(4-chlorophenyl)-3-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 42694832
(E)-3-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023668
3-chloro-2-(4-iodophenyl)-7-methylimidazo[1,2-a]pyridine
CID 148822779
1-[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine;hydrochloride
CID 126467593
N-(4-chlorophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
CID 171933601
(E)-3-[7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195945
N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]cyclopropanecarboxamide
CID 42694105
(E)-3-[2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023667
(E)-3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195944

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylideneamino]cyclopropane-1-carboxylate?
The IUPAC name of 1-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylideneamino]cyclopropane-1-carboxylate (CID 138111535) is 1-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylideneamino]cyclopropane-1-carboxylate.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylideneamino]cyclopropane-1-carboxylate?
The canonical SMILES for 1-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylideneamino]cyclopropane-1-carboxylate is Cc1ccn2c(/C=N/C3(C(=O)[O-])CC3)c(-c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 1-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylideneamino]cyclopropane-1-carboxylate?
The InChIKey is YRTMZLABHIVERH-SRZZPIQSSA-M. The full InChI is InChI=1S/C19H16ClN3O2/c1-12-6-9-23-15(11-21-19(7-8-19)18(24)25)17(22-16(23)10-12)13-2-4-14(20)5-3-13/h2-6,9-11H,7-8H2,1H3,(H,24,25)/p-1/b21-11+.
What are the key properties of 1-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylideneamino]cyclopropane-1-carboxylate?
1-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylideneamino]cyclopropane-1-carboxylate has a molecular weight of 352.80 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylideneamino]cyclopropane-1-carboxylate is sourced from PubChem (CID 138111535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).