N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

C15H22N6O — CID 56759551

IUPACN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCN1CCN2C[C@@H](NC(=O)c3cnn4ccn(C)c34)C[C@H]2C1
InChIInChI=1S/C15H22N6O/c1-18-3-5-20-9-11(7-12(20)10-18)17-14(22)13-8-16-21-6-4-19(2)15(13)21/h4,6,8,11-12H,3,5,7,9-10H2,1-2H3,(H,17,22)/t11-,12-/m0/s1
InChIKeyGMVIFKZIGWUXKF-RYUDHWBXSA-N
MW302.38 g/mol
LogP-0.21
Rot. Bonds2

About N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 56759551) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound NameN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID56759551
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCN1CCN2C[C@@H](NC(=O)c3cnn4ccn(C)c34)C[C@H]2C1
InChIInChI=1S/C15H22N6O/c1-18-3-5-20-9-11(7-12(20)10-18)17-14(22)13-8-16-21-6-4-19(2)15(13)21/h4,6,8,11-12H,3,5,7,9-10H2,1-2H3,(H,17,22)/t11-,12-/m0/s1
InChIKeyGMVIFKZIGWUXKF-RYUDHWBXSA-N
XLogP-0.21
TPSA57.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (CID 56759551) is N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is CN1CCN2C[C@@H](NC(=O)c3cnn4ccn(C)c34)C[C@H]2C1.
What is the InChIKey of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is GMVIFKZIGWUXKF-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H22N6O/c1-18-3-5-20-9-11(7-12(20)10-18)17-14(22)13-8-16-21-6-4-19(2)15(13)21/h4,6,8,11-12H,3,5,7,9-10H2,1-2H3,(H,17,22)/t11-,12-/m0/s1.
What are the key properties of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 302.38 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 56759551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).