6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one

C14H10Cl2N4O — CID 170427165

IUPAC6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
SMILESO=C1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)N1
InChIInChI=1S/C14H10Cl2N4O/c15-9-2-1-8-11(7-5-17-18-6-7)14-19-10(21)3-4-20(14)13(8)12(9)16/h1-2,5-6H,3-4H2,(H,17,18)(H,19,21)
InChIKeyCPZWBKCXDCBQAU-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.68
Rot. Bonds1

About 6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one

6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one (PubChem CID 170427165) has the molecular formula C14H10Cl2N4O and a molecular weight of 321.17 g/mol. Its IUPAC name is 6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one.

Molecular Properties

Compound Name6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
PubChem CID170427165
Molecular FormulaC14H10Cl2N4O
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
SMILESO=C1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)N1
InChIInChI=1S/C14H10Cl2N4O/c15-9-2-1-8-11(7-5-17-18-6-7)14-19-10(21)3-4-20(14)13(8)12(9)16/h1-2,5-6H,3-4H2,(H,17,18)(H,19,21)
InChIKeyCPZWBKCXDCBQAU-UHFFFAOYSA-N
XLogP3.68
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dichloro-10-(1H-pyrazol-4-yl)-2,4-dihydro-1H-pyrazino[1,2-a]indol-3-one
CID 170426767
6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 170427637
6,7-dichloro-2-methylsulfinyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole
CID 170610050
2-amino-1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;hydrochloride
CID 170426674
1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone
CID 170610201
7,8-dichloro-N-methyl-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine;2-hydroxyacetaldehyde
CID 170609984
5-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl]-1-ethylpyrrolidin-2-one
CID 170427318
[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methanamine
CID 170426868
1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 170427031
[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(4-methylmorpholin-3-yl)methanone
CID 170427444
N-[4-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-4-oxobutyl]-N-(2-hydroxyethyl)acetamide
CID 170609884
3-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]-N-methylpropanamide
CID 170427719

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
The IUPAC name of 6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one (CID 170427165) is 6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one.
What is the SMILES notation for 6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
The canonical SMILES for 6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one is O=C1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)N1.
What is the InChIKey of 6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
The InChIKey is CPZWBKCXDCBQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O/c15-9-2-1-8-11(7-5-17-18-6-7)14-19-10(21)3-4-20(14)13(8)12(9)16/h1-2,5-6H,3-4H2,(H,17,18)(H,19,21).
What are the key properties of 6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one?
6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one has a molecular weight of 321.17 g/mol, XLogP of 3.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one is sourced from PubChem (CID 170427165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).