(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone

C22H27N7O — CID 126896032

IUPAC(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone
SMILESCc1n[nH]c(C)c1C(=O)N1CCN(c2ccc3ncnc(N4CCCC4)c3c2)CC1
InChIInChI=1S/C22H27N7O/c1-15-20(16(2)26-25-15)22(30)29-11-9-27(10-12-29)17-5-6-19-18(13-17)21(24-14-23-19)28-7-3-4-8-28/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,25,26)
InChIKeyODJISFRJBLIVSL-UHFFFAOYSA-N
MW405.51 g/mol
LogP2.53
Rot. Bonds3

About (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone

(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone (PubChem CID 126896032) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone
PubChem CID126896032
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC Name(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone
SMILESCc1n[nH]c(C)c1C(=O)N1CCN(c2ccc3ncnc(N4CCCC4)c3c2)CC1
InChIInChI=1S/C22H27N7O/c1-15-20(16(2)26-25-15)22(30)29-11-9-27(10-12-29)17-5-6-19-18(13-17)21(24-14-23-19)28-7-3-4-8-28/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,25,26)
InChIKeyODJISFRJBLIVSL-UHFFFAOYSA-N
XLogP2.53
TPSA81.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone
CID 126896004
3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 126896027
[4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
CID 71842499
1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126896189
piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
CID 71842473
6-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline
CID 126896112
N-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carboxamide
CID 126896023
6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline
CID 126896083
1-[4-(6-chloroquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 171328778
1-[2-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 126896197
3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide
CID 110695203
3-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 126896066

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone (CID 126896032) is (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone is Cc1n[nH]c(C)c1C(=O)N1CCN(c2ccc3ncnc(N4CCCC4)c3c2)CC1.
What is the InChIKey of (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone?
The InChIKey is ODJISFRJBLIVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-15-20(16(2)26-25-15)22(30)29-11-9-27(10-12-29)17-5-6-19-18(13-17)21(24-14-23-19)28-7-3-4-8-28/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,25,26).
What are the key properties of (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone?
(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone has a molecular weight of 405.51 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 126896032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).