pyrrolidin-1-yl-(5-quinoxalin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone

C20H22N6O — CID 50962722

IUPACpyrrolidin-1-yl-(5-quinoxalin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone
SMILESO=C(c1cc2n(n1)CCCN(c1cnc3ccccc3n1)C2)N1CCCC1
InChIInChI=1S/C20H22N6O/c27-20(24-8-3-4-9-24)18-12-15-14-25(10-5-11-26(15)23-18)19-13-21-16-6-1-2-7-17(16)22-19/h1-2,6-7,12-13H,3-5,8-11,14H2
InChIKeyBXELCWDTODZMFM-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.47
Rot. Bonds2

About pyrrolidin-1-yl-(5-quinoxalin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone

pyrrolidin-1-yl-(5-quinoxalin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone (PubChem CID 50962722) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is pyrrolidin-1-yl-(5-quinoxalin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-(5-quinoxalin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone
PubChem CID50962722
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Namepyrrolidin-1-yl-(5-quinoxalin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone
SMILESO=C(c1cc2n(n1)CCCN(c1cnc3ccccc3n1)C2)N1CCCC1
InChIInChI=1S/C20H22N6O/c27-20(24-8-3-4-9-24)18-12-15-14-25(10-5-11-26(15)23-18)19-13-21-16-6-1-2-7-17(16)22-19/h1-2,6-7,12-13H,3-5,8-11,14H2
InChIKeyBXELCWDTODZMFM-UHFFFAOYSA-N
XLogP2.47
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methyl-1,3-thiazol-4-yl)-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone
CID 138387143
cyclobutyl-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone
CID 166603282
1-pyrrolidin-1-yl-2-(1-quinoxalin-2-ylpiperidin-4-yl)ethanone
CID 56815426
[5-(4-aminopyridine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-pyrrolidin-1-ylmethanone
CID 50951583
1-quinoxalin-2-ylazepane-4-carboxylic acid
CID 139695402
N-cyclopropyl-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 49431443
(2,4-difluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741472
piperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone
CID 67035179
(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-quinoxalin-2-ylmethanone
CID 119103044
[5-(3-methylbut-2-enyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-pyrrolidin-1-ylmethanone
CID 50962354
2,3-dihydro-1-benzofuran-7-yl-[2-(pyrrolidine-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 50955834
(3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741382

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-(5-quinoxalin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone?
The IUPAC name of pyrrolidin-1-yl-(5-quinoxalin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone (CID 50962722) is pyrrolidin-1-yl-(5-quinoxalin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone.
What is the SMILES notation for pyrrolidin-1-yl-(5-quinoxalin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone?
The canonical SMILES for pyrrolidin-1-yl-(5-quinoxalin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone is O=C(c1cc2n(n1)CCCN(c1cnc3ccccc3n1)C2)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-(5-quinoxalin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone?
The InChIKey is BXELCWDTODZMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c27-20(24-8-3-4-9-24)18-12-15-14-25(10-5-11-26(15)23-18)19-13-21-16-6-1-2-7-17(16)22-19/h1-2,6-7,12-13H,3-5,8-11,14H2.
What are the key properties of pyrrolidin-1-yl-(5-quinoxalin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone?
pyrrolidin-1-yl-(5-quinoxalin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone has a molecular weight of 362.44 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-(5-quinoxalin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone is sourced from PubChem (CID 50962722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).