5,7-dichloro-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one

C19H16Cl2N4O — CID 136551346

IUPAC5,7-dichloro-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
SMILESO=c1c2cc(Cl)cc(Cl)c2nc2n1CCC2=Cc1cc2n(n1)CCCC2
InChIInChI=1S/C19H16Cl2N4O/c20-12-8-15-17(16(21)9-12)22-18-11(4-6-24(18)19(15)26)7-13-10-14-3-1-2-5-25(14)23-13/h7-10H,1-6H2
InChIKeyAMIPRBPSMDFCSK-UHFFFAOYSA-N
MW387.27 g/mol
LogP4.18
Rot. Bonds1

About 5,7-dichloro-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one

5,7-dichloro-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one (PubChem CID 136551346) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is 5,7-dichloro-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one.

Molecular Properties

Compound Name5,7-dichloro-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
PubChem CID136551346
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC Name5,7-dichloro-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
SMILESO=c1c2cc(Cl)cc(Cl)c2nc2n1CCC2=Cc1cc2n(n1)CCCC2
InChIInChI=1S/C19H16Cl2N4O/c20-12-8-15-17(16(21)9-12)22-18-11(4-6-24(18)19(15)26)7-13-10-14-3-1-2-5-25(14)23-13/h7-10H,1-6H2
InChIKeyAMIPRBPSMDFCSK-UHFFFAOYSA-N
XLogP4.18
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,7-dichloro-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one with MolForge

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Related Compounds

(3E)-3-benzylidene-5,7-dichloro-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 13105059
(3Z)-5,7-dichloro-3-[(3-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 92945277
(3E)-7-chloro-3-[(4-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 27102476
(3Z)-6-chloro-3-[(4-chlorophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 92931334
5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carbaldehyde
CID 11286491
(3E)-7-chloro-3-[(2-fluorophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 18077590
7-chloro-3-[(2-methoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 54210302
6-chloro-3-[(4-fluorophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 4795679
(3Z)-6-chloro-3-(thiophen-2-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 86775952
7-chloro-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 54309252
(3E)-3-[(2-chlorophenyl)methylidene]-6-(trifluoromethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 8813767
(3E)-6-chloro-3-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 135734008

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
The IUPAC name of 5,7-dichloro-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one (CID 136551346) is 5,7-dichloro-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one.
What is the SMILES notation for 5,7-dichloro-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
The canonical SMILES for 5,7-dichloro-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one is O=c1c2cc(Cl)cc(Cl)c2nc2n1CCC2=Cc1cc2n(n1)CCCC2.
What is the InChIKey of 5,7-dichloro-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
The InChIKey is AMIPRBPSMDFCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c20-12-8-15-17(16(21)9-12)22-18-11(4-6-24(18)19(15)26)7-13-10-14-3-1-2-5-25(14)23-13/h7-10H,1-6H2.
What are the key properties of 5,7-dichloro-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
5,7-dichloro-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one has a molecular weight of 387.27 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one is sourced from PubChem (CID 136551346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).