N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide

C22H24N4O2 — CID 155505652

IUPACN-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccc2nc(C(=O)N[C@H]3C[C@H]4CO[C@@H](c5ccccc5)CN4C3)cn12
InChIInChI=1S/C22H24N4O2/c1-15-6-5-9-21-24-19(12-26(15)21)22(27)23-17-10-18-14-28-20(13-25(18)11-17)16-7-3-2-4-8-16/h2-9,12,17-18,20H,10-11,13-14H2,1H3,(H,23,27)/t17-,18-,20+/m0/s1
InChIKeyRRAFOPZJUTUDID-CMKODMSKSA-N
MW376.46 g/mol
LogP2.59
Rot. Bonds3

About N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide

N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 155505652) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID155505652
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccc2nc(C(=O)N[C@H]3C[C@H]4CO[C@@H](c5ccccc5)CN4C3)cn12
InChIInChI=1S/C22H24N4O2/c1-15-6-5-9-21-24-19(12-26(15)21)22(27)23-17-10-18-14-28-20(13-25(18)11-17)16-7-3-2-4-8-16/h2-9,12,17-18,20H,10-11,13-14H2,1H3,(H,23,27)/t17-,18-,20+/m0/s1
InChIKeyRRAFOPZJUTUDID-CMKODMSKSA-N
XLogP2.59
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]pyridine-4-carboxamide
CID 154820381
N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 155494001
N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 154819814
N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 154821183
N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 155495814
2-[(1S)-1-amino-3-methylbutyl]-N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 163334280
N-(1-benzylpyrrolidin-3-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 51110849
N-[2-[[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]amino]-2-oxoethyl]benzamide
CID 154822716
N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-methyloxetane-3-carboxamide
CID 155502996
N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-[cyclopentyl(methyl)amino]acetamide
CID 155506593
N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3,5-difluoropyridine-2-carboxamide
CID 155493306
N-[(3S,7R,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-fluoro-4-hydroxybenzamide
CID 155503999

Frequently Asked Questions

What is the IUPAC name of N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 155505652) is N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide is Cc1cccc2nc(C(=O)N[C@H]3C[C@H]4CO[C@@H](c5ccccc5)CN4C3)cn12.
What is the InChIKey of N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is RRAFOPZJUTUDID-CMKODMSKSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-6-5-9-21-24-19(12-26(15)21)22(27)23-17-10-18-14-28-20(13-25(18)11-17)16-7-3-2-4-8-16/h2-9,12,17-18,20H,10-11,13-14H2,1H3,(H,23,27)/t17-,18-,20+/m0/s1.
What are the key properties of N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 155505652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).