1-methyl-5-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indazole-3-carboxamide

C19H19N5O2 — CID 121271742

IUPAC1-methyl-5-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indazole-3-carboxamide
SMILESC[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(C(N)=O)nn4C)c2N1
InChIInChI=1S/C19H19N5O2/c1-10-8-16(25)22-14-5-3-4-12(17(14)21-10)11-6-7-15-13(9-11)18(19(20)26)23-24(15)2/h3-7,9-10,21H,8H2,1-2H3,(H2,20,26)(H,22,25)/t10-/m1/s1
InChIKeySYEXTYCMJGDJHE-SNVBAGLBSA-N
MW349.39 g/mol
LogP2.48
Rot. Bonds2

About 1-methyl-5-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indazole-3-carboxamide

1-methyl-5-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indazole-3-carboxamide (PubChem CID 121271742) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-methyl-5-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indazole-3-carboxamide
PubChem CID121271742
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name1-methyl-5-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indazole-3-carboxamide
SMILESC[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(C(N)=O)nn4C)c2N1
InChIInChI=1S/C19H19N5O2/c1-10-8-16(25)22-14-5-3-4-12(17(14)21-10)11-6-7-15-13(9-11)18(19(20)26)23-24(15)2/h3-7,9-10,21H,8H2,1-2H3,(H2,20,26)(H,22,25)/t10-/m1/s1
InChIKeySYEXTYCMJGDJHE-SNVBAGLBSA-N
XLogP2.48
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Apinaca
CID 57404063
Adb-butinaca
CID 155907792
(3H)granisetron
CID 3510
5F-Cumyl-PINACA
CID 86274158
AB-Chminaca
CID 44206133
Granisetron (JAN/USAN/INN)
CID 5284566
AB-Pinaca
CID 71301472
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422
5-Fluoro-AB-pinaca, (A+-)-
CID 102144602
1-(4-cyanobutyl)-N-(2-phenylpropan-2-yl)-1H-indazole-3-carboxamide
CID 117650402
Adb-fubinaca
CID 58124399

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indazole-3-carboxamide?
The IUPAC name of 1-methyl-5-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indazole-3-carboxamide (CID 121271742) is 1-methyl-5-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indazole-3-carboxamide.
What is the SMILES notation for 1-methyl-5-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indazole-3-carboxamide?
The canonical SMILES for 1-methyl-5-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indazole-3-carboxamide is C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(C(N)=O)nn4C)c2N1.
What is the InChIKey of 1-methyl-5-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indazole-3-carboxamide?
The InChIKey is SYEXTYCMJGDJHE-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-10-8-16(25)22-14-5-3-4-12(17(14)21-10)11-6-7-15-13(9-11)18(19(20)26)23-24(15)2/h3-7,9-10,21H,8H2,1-2H3,(H2,20,26)(H,22,25)/t10-/m1/s1.
What are the key properties of 1-methyl-5-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indazole-3-carboxamide?
1-methyl-5-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indazole-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.48, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]indazole-3-carboxamide is sourced from PubChem (CID 121271742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).