[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C24H22Cl2N4O — CID 90990875

IUPAC[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1=Nc2ccnn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)N1c2ccccc2CCC1C
InChIInChI=1S/C24H22Cl2N4O/c1-14-7-8-16-5-3-4-6-20(16)29(14)24(31)22-15(2)28-21-11-12-27-30(21)23(22)17-9-10-18(25)19(26)13-17/h3-6,9-14,22-23H,7-8H2,1-2H3
InChIKeyXNMVJNFBGPMHET-UHFFFAOYSA-N
MW453.37 g/mol
LogP5.87
Rot. Bonds2

About [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 90990875) has the molecular formula C24H22Cl2N4O and a molecular weight of 453.37 g/mol. Its IUPAC name is [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID90990875
Molecular FormulaC24H22Cl2N4O
Molecular Weight453.37 g/mol
Exact Mass452.12
IUPAC Name[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1=Nc2ccnn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)N1c2ccccc2CCC1C
InChIInChI=1S/C24H22Cl2N4O/c1-14-7-8-16-5-3-4-6-20(16)29(14)24(31)22-15(2)28-21-11-12-27-30(21)23(22)17-9-10-18(25)19(26)13-17/h3-6,9-14,22-23H,7-8H2,1-2H3
InChIKeyXNMVJNFBGPMHET-UHFFFAOYSA-N
XLogP5.87
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.37
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 91543520
[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 90955731
[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 91288637
[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(furan-3-yl)pyrrolidin-1-yl]methanone
CID 91280116
[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(diethylaminomethyl)piperidin-1-yl]methanone
CID 91414876
[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 91555566
[7-(4-chlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 90887296
[7-(2,3-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 91501772
5-(3,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 24572414
[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95898230
2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 22328468
[2-chloro-7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 90775988

Frequently Asked Questions

What is the IUPAC name of [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 90990875) is [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC1=Nc2ccnn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)N1c2ccccc2CCC1C.
What is the InChIKey of [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is XNMVJNFBGPMHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O/c1-14-7-8-16-5-3-4-6-20(16)29(14)24(31)22-15(2)28-21-11-12-27-30(21)23(22)17-9-10-18(25)19(26)13-17/h3-6,9-14,22-23H,7-8H2,1-2H3.
What are the key properties of [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 453.37 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 90990875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).