N-[(3R,7S,8aS)-3-propan-2-yl-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

C17H25N5O2 — CID 155496651

IUPACN-[(3R,7S,8aS)-3-propan-2-yl-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
SMILESCC(C)[C@@H]1CN2C[C@@H](NC(=O)c3cnn4ccn(C)c34)C[C@H]2CO1
InChIInChI=1S/C17H25N5O2/c1-11(2)15-9-21-8-12(6-13(21)10-24-15)19-16(23)14-7-18-22-5-4-20(3)17(14)22/h4-5,7,11-13,15H,6,8-10H2,1-3H3,(H,19,23)/t12-,13-,15-/m0/s1
InChIKeyDWELBINZHRITAC-YDHLFZDLSA-N
MW331.42 g/mol
LogP0.90
Rot. Bonds3

About N-[(3R,7S,8aS)-3-propan-2-yl-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-[(3R,7S,8aS)-3-propan-2-yl-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 155496651) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(3R,7S,8aS)-3-propan-2-yl-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-[(3R,7S,8aS)-3-propan-2-yl-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 CID155496651
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-[(3R,7S,8aS)-3-propan-2-yl-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
SMILESCC(C)[C@@H]1CN2C[C@@H](NC(=O)c3cnn4ccn(C)c34)C[C@H]2CO1
InChIInChI=1S/C17H25N5O2/c1-11(2)15-9-21-8-12(6-13(21)10-24-15)19-16(23)14-7-18-22-5-4-20(3)17(14)22/h4-5,7,11-13,15H,6,8-10H2,1-3H3,(H,19,23)/t12-,13-,15-/m0/s1
InChIKeyDWELBINZHRITAC-YDHLFZDLSA-N
XLogP0.90
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3R,7S,8aS)-3-propan-2-yl-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-[(3R,7S,8aS)-3-propan-2-yl-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-[(3R,7S,8aS)-3-propan-2-yl-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 155496651) is N-[(3R,7S,8aS)-3-propan-2-yl-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-[(3R,7S,8aS)-3-propan-2-yl-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-[(3R,7S,8aS)-3-propan-2-yl-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 CC(C)[C@@H]1CN2C[C@@H](NC(=O)c3cnn4ccn(C)c34)C[C@H]2CO1.
What is the InChIKey of N-[(3R,7S,8aS)-3-propan-2-yl-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 DWELBINZHRITAC-YDHLFZDLSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-11(2)15-9-21-8-12(6-13(21)10-24-15)19-16(23)14-7-18-22-5-4-20(3)17(14)22/h4-5,7,11-13,15H,6,8-10H2,1-3H3,(H,19,23)/t12-,13-,15-/m0/s1.
What are the key properties of N-[(3R,7S,8aS)-3-propan-2-yl-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-[(3R,7S,8aS)-3-propan-2-yl-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 331.42 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,7S,8aS)-3-propan-2-yl-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 155496651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).