4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepin-5-yl-[4-(2-methyl-1,3-dihydropyrazol-3-yl)phenyl]methanone

C22H21N5O — CID 139892504

IUPAC4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepin-5-yl-[4-(2-methyl-1,3-dihydropyrazol-3-yl)phenyl]methanone
SMILESCN1NC=CC1c1ccc(C(=O)N2Cc3ccnn3Cc3ccccc32)cc1
InChIInChI=1S/C22H21N5O/c1-25-20(11-13-23-25)16-6-8-17(9-7-16)22(28)26-15-19-10-12-24-27(19)14-18-4-2-3-5-21(18)26/h2-13,20,23H,14-15H2,1H3
InChIKeyFFUCXKZMQLQKIH-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.10
Rot. Bonds2

About 4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepin-5-yl-[4-(2-methyl-1,3-dihydropyrazol-3-yl)phenyl]methanone

4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepin-5-yl-[4-(2-methyl-1,3-dihydropyrazol-3-yl)phenyl]methanone (PubChem CID 139892504) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepin-5-yl-[4-(2-methyl-1,3-dihydropyrazol-3-yl)phenyl]methanone.

Molecular Properties

Compound Name4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepin-5-yl-[4-(2-methyl-1,3-dihydropyrazol-3-yl)phenyl]methanone
PubChem CID139892504
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepin-5-yl-[4-(2-methyl-1,3-dihydropyrazol-3-yl)phenyl]methanone
SMILESCN1NC=CC1c1ccc(C(=O)N2Cc3ccnn3Cc3ccccc32)cc1
InChIInChI=1S/C22H21N5O/c1-25-20(11-13-23-25)16-6-8-17(9-7-16)22(28)26-15-19-10-12-24-27(19)14-18-4-2-3-5-21(18)26/h2-13,20,23H,14-15H2,1H3
InChIKeyFFUCXKZMQLQKIH-UHFFFAOYSA-N
XLogP3.10
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylbenzamide
CID 57470776
N-[5-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-phenylbenzamide
CID 21462557
N-[[4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylphenyl]methyl]-8-fluoro-4-methyl-3-oxo-2H-quinoxaline-1-carboxamide
CID 11671067
N-[4-(4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]acetamide
CID 119045310
(4-bromophenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone
CID 22219706
1-[5-(4-cyclohexylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-9-yl]ethanone
CID 10295173
(4-bromophenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone;6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine
CID 160614657
6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[4-(4-methylphenoxy)phenyl]methanone
CID 22405326
(4-cyclohexylphenyl)-[9-(4-pyridin-2-ylpiperazine-1-carbonyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methanone
CID 10209752
4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepin-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone
CID 99826951
(Z)-1-[5-(4-cyclohexylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-9-yl]-3-(dimethylamino)prop-2-en-1-one
CID 10162119
4-benzoyl-1-methyl-3H-quinoxalin-2-one
CID 110669540

Frequently Asked Questions

What is the IUPAC name of 4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepin-5-yl-[4-(2-methyl-1,3-dihydropyrazol-3-yl)phenyl]methanone?
The IUPAC name of 4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepin-5-yl-[4-(2-methyl-1,3-dihydropyrazol-3-yl)phenyl]methanone (CID 139892504) is 4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepin-5-yl-[4-(2-methyl-1,3-dihydropyrazol-3-yl)phenyl]methanone.
What is the SMILES notation for 4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepin-5-yl-[4-(2-methyl-1,3-dihydropyrazol-3-yl)phenyl]methanone?
The canonical SMILES for 4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepin-5-yl-[4-(2-methyl-1,3-dihydropyrazol-3-yl)phenyl]methanone is CN1NC=CC1c1ccc(C(=O)N2Cc3ccnn3Cc3ccccc32)cc1.
What is the InChIKey of 4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepin-5-yl-[4-(2-methyl-1,3-dihydropyrazol-3-yl)phenyl]methanone?
The InChIKey is FFUCXKZMQLQKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-25-20(11-13-23-25)16-6-8-17(9-7-16)22(28)26-15-19-10-12-24-27(19)14-18-4-2-3-5-21(18)26/h2-13,20,23H,14-15H2,1H3.
What are the key properties of 4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepin-5-yl-[4-(2-methyl-1,3-dihydropyrazol-3-yl)phenyl]methanone?
4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepin-5-yl-[4-(2-methyl-1,3-dihydropyrazol-3-yl)phenyl]methanone has a molecular weight of 371.44 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepin-5-yl-[4-(2-methyl-1,3-dihydropyrazol-3-yl)phenyl]methanone is sourced from PubChem (CID 139892504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).