(3S,4R)-N-(1-benzylpyrazol-4-yl)-3,4-dimethyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide

C24H23N5O2 — CID 53245863

IUPAC(3S,4R)-N-(1-benzylpyrazol-4-yl)-3,4-dimethyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESC[C@@H]1NC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)cc3n2[C@@H]1C
InChIInChI=1S/C24H23N5O2/c1-15-16(2)29-21-11-19(9-8-18(21)10-22(29)24(31)26-15)23(30)27-20-12-25-28(14-20)13-17-6-4-3-5-7-17/h3-12,14-16H,13H2,1-2H3,(H,26,31)(H,27,30)/t15-,16+/m0/s1
InChIKeyJUHDVODXPWTTBZ-JKSUJKDBSA-N
MW413.48 g/mol
LogP3.83
Rot. Bonds4

About (3S,4R)-N-(1-benzylpyrazol-4-yl)-3,4-dimethyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide

(3S,4R)-N-(1-benzylpyrazol-4-yl)-3,4-dimethyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (PubChem CID 53245863) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is (3S,4R)-N-(1-benzylpyrazol-4-yl)-3,4-dimethyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.

Molecular Properties

Compound Name(3S,4R)-N-(1-benzylpyrazol-4-yl)-3,4-dimethyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
PubChem CID53245863
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name(3S,4R)-N-(1-benzylpyrazol-4-yl)-3,4-dimethyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESC[C@@H]1NC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)cc3n2[C@@H]1C
InChIInChI=1S/C24H23N5O2/c1-15-16(2)29-21-11-19(9-8-18(21)10-22(29)24(31)26-15)23(30)27-20-12-25-28(14-20)13-17-6-4-3-5-7-17/h3-12,14-16H,13H2,1-2H3,(H,26,31)(H,27,30)/t15-,16+/m0/s1
InChIKeyJUHDVODXPWTTBZ-JKSUJKDBSA-N
XLogP3.83
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-N-(1-benzylpyrazol-4-yl)-3,4-dimethyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-(1-benzylpyrazol-4-yl)-3,4-dimethyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The IUPAC name of (3S,4R)-N-(1-benzylpyrazol-4-yl)-3,4-dimethyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (CID 53245863) is (3S,4R)-N-(1-benzylpyrazol-4-yl)-3,4-dimethyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.
What is the SMILES notation for (3S,4R)-N-(1-benzylpyrazol-4-yl)-3,4-dimethyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The canonical SMILES for (3S,4R)-N-(1-benzylpyrazol-4-yl)-3,4-dimethyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is C[C@@H]1NC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)cc3n2[C@@H]1C.
What is the InChIKey of (3S,4R)-N-(1-benzylpyrazol-4-yl)-3,4-dimethyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The InChIKey is JUHDVODXPWTTBZ-JKSUJKDBSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-15-16(2)29-21-11-19(9-8-18(21)10-22(29)24(31)26-15)23(30)27-20-12-25-28(14-20)13-17-6-4-3-5-7-17/h3-12,14-16H,13H2,1-2H3,(H,26,31)(H,27,30)/t15-,16+/m0/s1.
What are the key properties of (3S,4R)-N-(1-benzylpyrazol-4-yl)-3,4-dimethyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
(3S,4R)-N-(1-benzylpyrazol-4-yl)-3,4-dimethyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-(1-benzylpyrazol-4-yl)-3,4-dimethyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is sourced from PubChem (CID 53245863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).