(4R)-4,8-dimethyl-6-(1-methylindazol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

C19H20N4O — CID 176984719

IUPAC(4R)-4,8-dimethyl-6-(1-methylindazol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESCc1cc2c(c(-c3ccc4c(cnn4C)c3)c1)N[C@H](C)CC(=O)N2
InChIInChI=1S/C19H20N4O/c1-11-6-15(13-4-5-17-14(9-13)10-20-23(17)3)19-16(7-11)22-18(24)8-12(2)21-19/h4-7,9-10,12,21H,8H2,1-3H3,(H,22,24)/t12-/m1/s1
InChIKeyKBKBUVWCDCLJAF-GFCCVEGCSA-N
MW320.40 g/mol
LogP3.69
Rot. Bonds1

About (4R)-4,8-dimethyl-6-(1-methylindazol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

(4R)-4,8-dimethyl-6-(1-methylindazol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (PubChem CID 176984719) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is (4R)-4,8-dimethyl-6-(1-methylindazol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name(4R)-4,8-dimethyl-6-(1-methylindazol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
PubChem CID176984719
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name(4R)-4,8-dimethyl-6-(1-methylindazol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESCc1cc2c(c(-c3ccc4c(cnn4C)c3)c1)N[C@H](C)CC(=O)N2
InChIInChI=1S/C19H20N4O/c1-11-6-15(13-4-5-17-14(9-13)10-20-23(17)3)19-16(7-11)22-18(24)8-12(2)21-19/h4-7,9-10,12,21H,8H2,1-3H3,(H,22,24)/t12-/m1/s1
InChIKeyKBKBUVWCDCLJAF-GFCCVEGCSA-N
XLogP3.69
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4,8-dimethyl-6-(1-methylindazol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The IUPAC name of (4R)-4,8-dimethyl-6-(1-methylindazol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (CID 176984719) is (4R)-4,8-dimethyl-6-(1-methylindazol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for (4R)-4,8-dimethyl-6-(1-methylindazol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The canonical SMILES for (4R)-4,8-dimethyl-6-(1-methylindazol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is Cc1cc2c(c(-c3ccc4c(cnn4C)c3)c1)N[C@H](C)CC(=O)N2.
What is the InChIKey of (4R)-4,8-dimethyl-6-(1-methylindazol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The InChIKey is KBKBUVWCDCLJAF-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N4O/c1-11-6-15(13-4-5-17-14(9-13)10-20-23(17)3)19-16(7-11)22-18(24)8-12(2)21-19/h4-7,9-10,12,21H,8H2,1-3H3,(H,22,24)/t12-/m1/s1.
What are the key properties of (4R)-4,8-dimethyl-6-(1-methylindazol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
(4R)-4,8-dimethyl-6-(1-methylindazol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one has a molecular weight of 320.40 g/mol, XLogP of 3.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4,8-dimethyl-6-(1-methylindazol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 176984719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).