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]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C17H23N5O2 — CID 154816171

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]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCC(C)[C@@H]1CN2C[C@@H](NC(=O)c3cccn4cnnc34)C[C@H]2CO1
InChIInChI=1S/C17H23N5O2/c1-11(2)15-8-22-7-12(6-13(22)9-24-15)19-17(23)14-4-3-5-21-10-18-20-16(14)21/h3-5,10-13,15H,6-9H2,1-2H3,(H,19,23)/t12-,13-,15-/m0/s1
InChIKeyWDRFHUXEDXMMLM-YDHLFZDLSA-N
MW329.40 g/mol
LogP0.96
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]-[1,2,4]triazolo[4,3-a]pyridine-8-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]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 154816171) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 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]-[1,2,4]triazolo[4,3-a]pyridine-8-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]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID154816171
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
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]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCC(C)[C@@H]1CN2C[C@@H](NC(=O)c3cccn4cnnc34)C[C@H]2CO1
InChIInChI=1S/C17H23N5O2/c1-11(2)15-8-22-7-12(6-13(22)9-24-15)19-17(23)14-4-3-5-21-10-18-20-16(14)21/h3-5,10-13,15H,6-9H2,1-2H3,(H,19,23)/t12-,13-,15-/m0/s1
InChIKeyWDRFHUXEDXMMLM-YDHLFZDLSA-N
XLogP0.96
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.96
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]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide with MolForge

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Related Compounds

N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 154817380
6-amino-N-[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]pyridine-2-carboxamide
CID 155497790
N-[(3R,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-fluorobenzamide
CID 155492169
N-[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1H-benzimidazole-2-carboxamide
CID 155501718
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]-3-(trifluoromethyl)benzamide
CID 155500603
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]-2-(4-phenylphenyl)acetamide
CID 155494870
N-[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 166619574
1-[(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-propan-2-ylurea
CID 155918402
N-[(3R,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-chloro-5-methylbenzamide
CID 155492693
N-[(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 155496257
N-[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 155505828
N-[(3S,7S,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 155499021

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]-[1,2,4]triazolo[4,3-a]pyridine-8-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]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 154816171) 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]-[1,2,4]triazolo[4,3-a]pyridine-8-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]-[1,2,4]triazolo[4,3-a]pyridine-8-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]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is CC(C)[C@@H]1CN2C[C@@H](NC(=O)c3cccn4cnnc34)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]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is WDRFHUXEDXMMLM-YDHLFZDLSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11(2)15-8-22-7-12(6-13(22)9-24-15)19-17(23)14-4-3-5-21-10-18-20-16(14)21/h3-5,10-13,15H,6-9H2,1-2H3,(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]-[1,2,4]triazolo[4,3-a]pyridine-8-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]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 0.96, 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]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 154816171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).