7-(benzylamino)-3-propan-2-yl-5,10-dihydro-2H-pyrazolo[3,4-b][1,5]benzodiazepin-4-one

C20H21N5O — CID 142650256

IUPAC7-(benzylamino)-3-propan-2-yl-5,10-dihydro-2H-pyrazolo[3,4-b][1,5]benzodiazepin-4-one
SMILESCC(C)c1[nH]nc2c1C(=O)Nc1cc(NCc3ccccc3)ccc1N2
InChIInChI=1S/C20H21N5O/c1-12(2)18-17-19(25-24-18)22-15-9-8-14(10-16(15)23-20(17)26)21-11-13-6-4-3-5-7-13/h3-10,12,21H,11H2,1-2H3,(H,23,26)(H2,22,24,25)
InChIKeyHMJIYXNGCHQWNC-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.45
Rot. Bonds4

About 7-(benzylamino)-3-propan-2-yl-5,10-dihydro-2H-pyrazolo[3,4-b][1,5]benzodiazepin-4-one

7-(benzylamino)-3-propan-2-yl-5,10-dihydro-2H-pyrazolo[3,4-b][1,5]benzodiazepin-4-one (PubChem CID 142650256) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 7-(benzylamino)-3-propan-2-yl-5,10-dihydro-2H-pyrazolo[3,4-b][1,5]benzodiazepin-4-one.

Molecular Properties

Compound Name7-(benzylamino)-3-propan-2-yl-5,10-dihydro-2H-pyrazolo[3,4-b][1,5]benzodiazepin-4-one
PubChem CID142650256
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name7-(benzylamino)-3-propan-2-yl-5,10-dihydro-2H-pyrazolo[3,4-b][1,5]benzodiazepin-4-one
SMILESCC(C)c1[nH]nc2c1C(=O)Nc1cc(NCc3ccccc3)ccc1N2
InChIInChI=1S/C20H21N5O/c1-12(2)18-17-19(25-24-18)22-15-9-8-14(10-16(15)23-20(17)26)21-11-13-6-4-3-5-7-13/h3-10,12,21H,11H2,1-2H3,(H,23,26)(H2,22,24,25)
InChIKeyHMJIYXNGCHQWNC-UHFFFAOYSA-N
XLogP4.45
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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N-benzyl-5-methylsulfonyl-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
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CID 22497856

Frequently Asked Questions

What is the IUPAC name of 7-(benzylamino)-3-propan-2-yl-5,10-dihydro-2H-pyrazolo[3,4-b][1,5]benzodiazepin-4-one?
The IUPAC name of 7-(benzylamino)-3-propan-2-yl-5,10-dihydro-2H-pyrazolo[3,4-b][1,5]benzodiazepin-4-one (CID 142650256) is 7-(benzylamino)-3-propan-2-yl-5,10-dihydro-2H-pyrazolo[3,4-b][1,5]benzodiazepin-4-one.
What is the SMILES notation for 7-(benzylamino)-3-propan-2-yl-5,10-dihydro-2H-pyrazolo[3,4-b][1,5]benzodiazepin-4-one?
The canonical SMILES for 7-(benzylamino)-3-propan-2-yl-5,10-dihydro-2H-pyrazolo[3,4-b][1,5]benzodiazepin-4-one is CC(C)c1[nH]nc2c1C(=O)Nc1cc(NCc3ccccc3)ccc1N2.
What is the InChIKey of 7-(benzylamino)-3-propan-2-yl-5,10-dihydro-2H-pyrazolo[3,4-b][1,5]benzodiazepin-4-one?
The InChIKey is HMJIYXNGCHQWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-12(2)18-17-19(25-24-18)22-15-9-8-14(10-16(15)23-20(17)26)21-11-13-6-4-3-5-7-13/h3-10,12,21H,11H2,1-2H3,(H,23,26)(H2,22,24,25).
What are the key properties of 7-(benzylamino)-3-propan-2-yl-5,10-dihydro-2H-pyrazolo[3,4-b][1,5]benzodiazepin-4-one?
7-(benzylamino)-3-propan-2-yl-5,10-dihydro-2H-pyrazolo[3,4-b][1,5]benzodiazepin-4-one has a molecular weight of 347.42 g/mol, XLogP of 4.45, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzylamino)-3-propan-2-yl-5,10-dihydro-2H-pyrazolo[3,4-b][1,5]benzodiazepin-4-one is sourced from PubChem (CID 142650256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).