8,8-dimethyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one

C25H29N5O2 — CID 53097621

IUPAC8,8-dimethyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one
SMILESCc1cccc(N2CCN(C(=O)c3cnn4c5c(cnc34)C(=O)CC(C)(C)C5)CC2C)c1
InChIInChI=1S/C25H29N5O2/c1-16-6-5-7-18(10-16)29-9-8-28(15-17(29)2)24(32)20-14-27-30-21-11-25(3,4)12-22(31)19(21)13-26-23(20)30/h5-7,10,13-14,17H,8-9,11-12,15H2,1-4H3
InChIKeyKYTXXNVIFCVLQQ-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.54
Rot. Bonds2

About 8,8-dimethyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one

8,8-dimethyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one (PubChem CID 53097621) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 8,8-dimethyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name8,8-dimethyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one
PubChem CID53097621
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name8,8-dimethyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one
SMILESCc1cccc(N2CCN(C(=O)c3cnn4c5c(cnc34)C(=O)CC(C)(C)C5)CC2C)c1
InChIInChI=1S/C25H29N5O2/c1-16-6-5-7-18(10-16)29-9-8-28(15-17(29)2)24(32)20-14-27-30-21-11-25(3,4)12-22(31)19(21)13-26-23(20)30/h5-7,10,13-14,17H,8-9,11-12,15H2,1-4H3
InChIKeyKYTXXNVIFCVLQQ-UHFFFAOYSA-N
XLogP3.54
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dimethylphenyl)-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 53097599
3-methyl-6-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 95075781
3-methyl-6-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 53094508
[6-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 3262973
1H-indazol-4-yl-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 166207018
N-cyclopropyl-8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 22587293
[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-piperidin-1-ylisoquinolin-4-yl)methanone
CID 92876993
3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 3796874
[2-[4-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 95090568
[2-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 95090567
(3-bromophenyl)-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 2579914
8,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 95081155

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 8,8-dimethyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one (CID 53097621) is 8,8-dimethyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 8,8-dimethyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 8,8-dimethyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one is Cc1cccc(N2CCN(C(=O)c3cnn4c5c(cnc34)C(=O)CC(C)(C)C5)CC2C)c1.
What is the InChIKey of 8,8-dimethyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one?
The InChIKey is KYTXXNVIFCVLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-16-6-5-7-18(10-16)29-9-8-28(15-17(29)2)24(32)20-14-27-30-21-11-25(3,4)12-22(31)19(21)13-26-23(20)30/h5-7,10,13-14,17H,8-9,11-12,15H2,1-4H3.
What are the key properties of 8,8-dimethyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one?
8,8-dimethyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one has a molecular weight of 431.54 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 53097621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).