N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide

C15H19N5O2 — CID 155505228

IUPACN-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESC[C@@H]1CN2C[C@H](NC(=O)c3ccc4cn[nH]c4n3)C[C@H]2CO1
InChIInChI=1S/C15H19N5O2/c1-9-6-20-7-11(4-12(20)8-22-9)17-15(21)13-3-2-10-5-16-19-14(10)18-13/h2-3,5,9,11-12H,4,6-8H2,1H3,(H,17,21)(H,16,18,19)/t9-,11-,12+/m1/s1
InChIKeyBSRJCBWGRUQQBS-JLLWLGSASA-N
MW301.35 g/mol
LogP0.55
Rot. Bonds2

About N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide

N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 155505228) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID155505228
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESC[C@@H]1CN2C[C@H](NC(=O)c3ccc4cn[nH]c4n3)C[C@H]2CO1
InChIInChI=1S/C15H19N5O2/c1-9-6-20-7-11(4-12(20)8-22-9)17-15(21)13-3-2-10-5-16-19-14(10)18-13/h2-3,5,9,11-12H,4,6-8H2,1H3,(H,17,21)(H,16,18,19)/t9-,11-,12+/m1/s1
InChIKeyBSRJCBWGRUQQBS-JLLWLGSASA-N
XLogP0.55
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(3S,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-(1,2,4-triazol-4-yl)benzamide
CID 155508732
N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 155510000
N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2,5-dimethylfuran-3-carboxamide
CID 155502422
N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-chloro-2-methylbenzamide
CID 155505209
N-[(3S,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-methyl-1,2,5-thiadiazole-3-carboxamide
CID 154816747
N-[(3S,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-(difluoromethoxy)benzamide
CID 155508605
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-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]quinoline-4-carboxamide
CID 155498681
N-[(3S,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methoxypyridine-4-carboxamide
CID 155498454
N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(1,2,4-triazol-4-yl)benzamide
CID 155919644
N-[(3S,7S,8aS)-3-methyl-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 155502753
N-[(3S,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-cyanobenzamide
CID 155505913

Frequently Asked Questions

What is the IUPAC name of N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide (CID 155505228) is N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide is C[C@@H]1CN2C[C@H](NC(=O)c3ccc4cn[nH]c4n3)C[C@H]2CO1.
What is the InChIKey of N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is BSRJCBWGRUQQBS-JLLWLGSASA-N. The full InChI is InChI=1S/C15H19N5O2/c1-9-6-20-7-11(4-12(20)8-22-9)17-15(21)13-3-2-10-5-16-19-14(10)18-13/h2-3,5,9,11-12H,4,6-8H2,1H3,(H,17,21)(H,16,18,19)/t9-,11-,12+/m1/s1.
What are the key properties of N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide?
N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 155505228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).