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

C21H21ClN4O — CID 121271803

IUPAC(4R)-8-chloro-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESC[C@@H]1CC(=O)Nc2cc(Cl)cc(-c3ccc4c(c3)c(C3CC3)nn4C)c2N1
InChIInChI=1S/C21H21ClN4O/c1-11-7-19(27)24-17-10-14(22)9-15(21(17)23-11)13-5-6-18-16(8-13)20(12-3-4-12)25-26(18)2/h5-6,8-12,23H,3-4,7H2,1-2H3,(H,24,27)/t11-/m1/s1
InChIKeyGSGQGHUIGIFOMO-LLVKDONJSA-N
MW380.88 g/mol
LogP4.91
Rot. Bonds2

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

(4R)-8-chloro-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (PubChem CID 121271803) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is (4R)-8-chloro-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name(4R)-8-chloro-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
PubChem CID121271803
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name(4R)-8-chloro-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESC[C@@H]1CC(=O)Nc2cc(Cl)cc(-c3ccc4c(c3)c(C3CC3)nn4C)c2N1
InChIInChI=1S/C21H21ClN4O/c1-11-7-19(27)24-17-10-14(22)9-15(21(17)23-11)13-5-6-18-16(8-13)20(12-3-4-12)25-26(18)2/h5-6,8-12,23H,3-4,7H2,1-2H3,(H,24,27)/t11-/m1/s1
InChIKeyGSGQGHUIGIFOMO-LLVKDONJSA-N
XLogP4.91
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one
CID 121271792
(4r)-6-(3-Cyclopropyl-1-Methyl-1h-Indazol-5-Yl)-4-Methyl-1,3,4,5-Tetrahydro-2h-1,5-Benzodiazepin-2-One
CID 121271781
CID 121271756
CID 121271756
(4R)-4-methyl-6-(1-methylindazol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 121278155
(4S)-4-methyl-6-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 127051477
2-(5-chloro-3-phenyl-1H-indazol-1-yl)-N-propylacetamide
CID 20877322
(4r)-4-Methyl-6-[1-Methyl-3-(1-Methyl-1h-Pyrazol-4-Yl)-1h-Indazol-5-Yl]-1,3,4,5-Tetrahydro-2h-1,5-Benzodiazepin-2-One
CID 131698633
4-(5-chloro-3-phenyl-1H-indazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 20877541
(2S)-2-(5-chloro-3-phenylindazol-1-yl)-N-cyclopropylpropanamide
CID 92248781
N-[2-[[(2S)-butan-2-yl]-cyclohexylamino]ethyl]-2-(5-chloro-3-phenylindazol-1-yl)acetamide
CID 92381758
(2S)-2-(5-chloro-3-phenylindazol-1-yl)-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 92447821
(4R)-6-(3-cyclopropyl-1-methylindazol-5-yl)-8-fluoro-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 121271702

Frequently Asked Questions

What is the IUPAC name of (4R)-8-chloro-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The IUPAC name of (4R)-8-chloro-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (CID 121271803) is (4R)-8-chloro-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for (4R)-8-chloro-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The canonical SMILES for (4R)-8-chloro-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is C[C@@H]1CC(=O)Nc2cc(Cl)cc(-c3ccc4c(c3)c(C3CC3)nn4C)c2N1.
What is the InChIKey of (4R)-8-chloro-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The InChIKey is GSGQGHUIGIFOMO-LLVKDONJSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-11-7-19(27)24-17-10-14(22)9-15(21(17)23-11)13-5-6-18-16(8-13)20(12-3-4-12)25-26(18)2/h5-6,8-12,23H,3-4,7H2,1-2H3,(H,24,27)/t11-/m1/s1.
What are the key properties of (4R)-8-chloro-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
(4R)-8-chloro-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one has a molecular weight of 380.88 g/mol, XLogP of 4.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-chloro-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 121271803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).