4-[(10aS)-7-fluoro-8-methyl-10a-phenyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-a]indol-9-yl]-1-methylpyrazole-5-carboxamide

C23H24FN5O — CID 170031443

IUPAC4-[(10aS)-7-fluoro-8-methyl-10a-phenyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-a]indol-9-yl]-1-methylpyrazole-5-carboxamide
SMILESCc1c(F)cc2c(c1-c1cnn(C)c1C(N)=O)C[C@]1(c3ccccc3)CNCCN21
InChIInChI=1S/C23H24FN5O/c1-14-18(24)10-19-16(20(14)17-12-27-28(2)21(17)22(25)30)11-23(13-26-8-9-29(19)23)15-6-4-3-5-7-15/h3-7,10,12,26H,8-9,11,13H2,1-2H3,(H2,25,30)/t23-/m1/s1
InChIKeyKYNMXHSKYUVWEW-HSZRJFAPSA-N
MW405.48 g/mol
LogP2.49
Rot. Bonds3

About 4-[(10aS)-7-fluoro-8-methyl-10a-phenyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-a]indol-9-yl]-1-methylpyrazole-5-carboxamide

4-[(10aS)-7-fluoro-8-methyl-10a-phenyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-a]indol-9-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 170031443) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-[(10aS)-7-fluoro-8-methyl-10a-phenyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-a]indol-9-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(10aS)-7-fluoro-8-methyl-10a-phenyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-a]indol-9-yl]-1-methylpyrazole-5-carboxamide
PubChem CID170031443
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name4-[(10aS)-7-fluoro-8-methyl-10a-phenyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-a]indol-9-yl]-1-methylpyrazole-5-carboxamide
SMILESCc1c(F)cc2c(c1-c1cnn(C)c1C(N)=O)C[C@]1(c3ccccc3)CNCCN21
InChIInChI=1S/C23H24FN5O/c1-14-18(24)10-19-16(20(14)17-12-27-28(2)21(17)22(25)30)11-23(13-26-8-9-29(19)23)15-6-4-3-5-7-15/h3-7,10,12,26H,8-9,11,13H2,1-2H3,(H2,25,30)/t23-/m1/s1
InChIKeyKYNMXHSKYUVWEW-HSZRJFAPSA-N
XLogP2.49
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(10aS)-7-fluoro-8-methyl-10a-phenyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-a]indol-9-yl]-1-methylpyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(10aS)-7-fluoro-8-methyl-10a-phenyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-a]indol-9-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[(10aS)-7-fluoro-8-methyl-10a-phenyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-a]indol-9-yl]-1-methylpyrazole-5-carboxamide (CID 170031443) is 4-[(10aS)-7-fluoro-8-methyl-10a-phenyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-a]indol-9-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[(10aS)-7-fluoro-8-methyl-10a-phenyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-a]indol-9-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[(10aS)-7-fluoro-8-methyl-10a-phenyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-a]indol-9-yl]-1-methylpyrazole-5-carboxamide is Cc1c(F)cc2c(c1-c1cnn(C)c1C(N)=O)C[C@]1(c3ccccc3)CNCCN21.
What is the InChIKey of 4-[(10aS)-7-fluoro-8-methyl-10a-phenyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-a]indol-9-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is KYNMXHSKYUVWEW-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-14-18(24)10-19-16(20(14)17-12-27-28(2)21(17)22(25)30)11-23(13-26-8-9-29(19)23)15-6-4-3-5-7-15/h3-7,10,12,26H,8-9,11,13H2,1-2H3,(H2,25,30)/t23-/m1/s1.
What are the key properties of 4-[(10aS)-7-fluoro-8-methyl-10a-phenyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-a]indol-9-yl]-1-methylpyrazole-5-carboxamide?
4-[(10aS)-7-fluoro-8-methyl-10a-phenyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-a]indol-9-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(10aS)-7-fluoro-8-methyl-10a-phenyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-a]indol-9-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 170031443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).