(E)-1-(2,5-dichlorothiophen-3-yl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one

C15H10Cl2N2OS — CID 43071436

IUPAC(E)-1-(2,5-dichlorothiophen-3-yl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one
SMILESCc1nc(/C=C/C(=O)c2cc(Cl)sc2Cl)c2ccccn12
InChIInChI=1S/C15H10Cl2N2OS/c1-9-18-11(12-4-2-3-7-19(9)12)5-6-13(20)10-8-14(16)21-15(10)17/h2-8H,1H3/b6-5+
InChIKeyRGSNOBLNPWEWFO-AATRIKPKSA-N
MW337.23 g/mol
LogP4.91
Rot. Bonds3

About (E)-1-(2,5-dichlorothiophen-3-yl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one

(E)-1-(2,5-dichlorothiophen-3-yl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one (PubChem CID 43071436) has the molecular formula C15H10Cl2N2OS and a molecular weight of 337.23 g/mol. Its IUPAC name is (E)-1-(2,5-dichlorothiophen-3-yl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,5-dichlorothiophen-3-yl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one
PubChem CID43071436
Molecular FormulaC15H10Cl2N2OS
Molecular Weight337.23 g/mol
Exact Mass335.99
IUPAC Name(E)-1-(2,5-dichlorothiophen-3-yl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one
SMILESCc1nc(/C=C/C(=O)c2cc(Cl)sc2Cl)c2ccccn12
InChIInChI=1S/C15H10Cl2N2OS/c1-9-18-11(12-4-2-3-7-19(9)12)5-6-13(20)10-8-14(16)21-15(10)17/h2-8H,1H3/b6-5+
InChIKeyRGSNOBLNPWEWFO-AATRIKPKSA-N
XLogP4.91
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(2-methoxy-4-methylphenyl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one
CID 43071444
6-methyl-2-[(E)-2-(3-methylimidazo[1,5-a]pyridin-1-yl)ethenyl]quinoline
CID 39319431
1-(chloromethyl)-3-methylimidazo[1,5-a]pyridine
CID 112552822
2-(3-methylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 28797826
2-(3-methylimidazo[1,5-a]pyridin-1-yl)-2-oxoacetic acid
CID 82282708
ethyl 3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]indolizine-1-carboxylate
CID 127043507
1,3-dihydroisoindol-2-yl-(3-methylimidazo[1,5-a]pyridin-1-yl)methanone
CID 167853594
N-[(2-chlorophenyl)methyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110648110
N-[(4-chlorophenyl)methyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110648131
tert-butyl 3-chloroindolizine-1-carboxylate
CID 141195530
2-(3-methylimidazo[1,5-a]pyridin-1-yl)pyrimidine-5-carboxylic acid
CID 169159865
(2,5-dichlorothiophen-3-yl)-(2-ethoxyphenyl)methanone
CID 43344791

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,5-dichlorothiophen-3-yl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2,5-dichlorothiophen-3-yl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one (CID 43071436) is (E)-1-(2,5-dichlorothiophen-3-yl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,5-dichlorothiophen-3-yl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2,5-dichlorothiophen-3-yl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one is Cc1nc(/C=C/C(=O)c2cc(Cl)sc2Cl)c2ccccn12.
What is the InChIKey of (E)-1-(2,5-dichlorothiophen-3-yl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one?
The InChIKey is RGSNOBLNPWEWFO-AATRIKPKSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS/c1-9-18-11(12-4-2-3-7-19(9)12)5-6-13(20)10-8-14(16)21-15(10)17/h2-8H,1H3/b6-5+.
What are the key properties of (E)-1-(2,5-dichlorothiophen-3-yl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one?
(E)-1-(2,5-dichlorothiophen-3-yl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one has a molecular weight of 337.23 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,5-dichlorothiophen-3-yl)-3-(3-methylimidazo[1,5-a]pyridin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 43071436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).