9-chloro-N-[(5R,7S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide

C19H20ClN5O — CID 129347179

IUPAC9-chloro-N-[(5R,7S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide
SMILESC[C@@H]1C[C@H](NC(=O)N2CCn3c(cc4c(Cl)cccc43)C2)c2nccn21
InChIInChI=1S/C19H20ClN5O/c1-12-9-16(18-21-5-6-24(12)18)22-19(26)23-7-8-25-13(11-23)10-14-15(20)3-2-4-17(14)25/h2-6,10,12,16H,7-9,11H2,1H3,(H,22,26)/t12-,16+/m1/s1
InChIKeyULCPLAOHBPNCSP-WBMJQRKESA-N
MW369.86 g/mol
LogP3.72
Rot. Bonds1

About 9-chloro-N-[(5R,7S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide

9-chloro-N-[(5R,7S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide (PubChem CID 129347179) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 9-chloro-N-[(5R,7S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide.

Molecular Properties

Compound Name9-chloro-N-[(5R,7S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide
PubChem CID129347179
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name9-chloro-N-[(5R,7S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide
SMILESC[C@@H]1C[C@H](NC(=O)N2CCn3c(cc4c(Cl)cccc43)C2)c2nccn21
InChIInChI=1S/C19H20ClN5O/c1-12-9-16(18-21-5-6-24(12)18)22-19(26)23-7-8-25-13(11-23)10-14-15(20)3-2-4-17(14)25/h2-6,10,12,16H,7-9,11H2,1H3,(H,22,26)/t12-,16+/m1/s1
InChIKeyULCPLAOHBPNCSP-WBMJQRKESA-N
XLogP3.72
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-chloro-N-[(5R,7S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-N-[(5R,7S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide?
The IUPAC name of 9-chloro-N-[(5R,7S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide (CID 129347179) is 9-chloro-N-[(5R,7S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide.
What is the SMILES notation for 9-chloro-N-[(5R,7S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide?
The canonical SMILES for 9-chloro-N-[(5R,7S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide is C[C@@H]1C[C@H](NC(=O)N2CCn3c(cc4c(Cl)cccc43)C2)c2nccn21.
What is the InChIKey of 9-chloro-N-[(5R,7S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide?
The InChIKey is ULCPLAOHBPNCSP-WBMJQRKESA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-12-9-16(18-21-5-6-24(12)18)22-19(26)23-7-8-25-13(11-23)10-14-15(20)3-2-4-17(14)25/h2-6,10,12,16H,7-9,11H2,1H3,(H,22,26)/t12-,16+/m1/s1.
What are the key properties of 9-chloro-N-[(5R,7S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide?
9-chloro-N-[(5R,7S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide has a molecular weight of 369.86 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N-[(5R,7S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide is sourced from PubChem (CID 129347179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).