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

C15H21N5O2 — CID 155498358

IUPACN-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESC[C@H]1CN2C[C@@H](NC(=O)c3cnn4ccn(C)c34)C[C@H]2CO1
InChIInChI=1S/C15H21N5O2/c1-10-7-19-8-11(5-12(19)9-22-10)17-14(21)13-6-16-20-4-3-18(2)15(13)20/h3-4,6,10-12H,5,7-9H2,1-2H3,(H,17,21)/t10-,11-,12-/m0/s1
InChIKeyGWQZYZMKCLNVPR-SRVKXCTJSA-N
MW303.37 g/mol
LogP0.26
Rot. Bonds2

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

N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 155498358) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound NameN-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID155498358
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESC[C@H]1CN2C[C@@H](NC(=O)c3cnn4ccn(C)c34)C[C@H]2CO1
InChIInChI=1S/C15H21N5O2/c1-10-7-19-8-11(5-12(19)9-22-10)17-14(21)13-6-16-20-4-3-18(2)15(13)20/h3-4,6,10-12H,5,7-9H2,1-2H3,(H,17,21)/t10-,11-,12-/m0/s1
InChIKeyGWQZYZMKCLNVPR-SRVKXCTJSA-N
XLogP0.26
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-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-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (CID 155498358) is N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is C[C@H]1CN2C[C@@H](NC(=O)c3cnn4ccn(C)c34)C[C@H]2CO1.
What is the InChIKey of N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is GWQZYZMKCLNVPR-SRVKXCTJSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-10-7-19-8-11(5-12(19)9-22-10)17-14(21)13-6-16-20-4-3-18(2)15(13)20/h3-4,6,10-12H,5,7-9H2,1-2H3,(H,17,21)/t10-,11-,12-/m0/s1.
What are the key properties of N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 155498358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).