5-amino-N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C13H14N4O2 — CID 138011110

IUPAC5-amino-N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESNc1ccn2ncc(C(=O)N[C@@]34COC[C@@H]3C4)c2c1
InChIInChI=1S/C13H14N4O2/c14-9-1-2-17-11(3-9)10(5-15-17)12(18)16-13-4-8(13)6-19-7-13/h1-3,5,8H,4,6-7,14H2,(H,16,18)/t8-,13-/m0/s1
InChIKeyGCNMRXOTTNABGT-SDBXPKJASA-N
MW258.28 g/mol
LogP0.44
Rot. Bonds2

About 5-amino-N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

5-amino-N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 138011110) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-amino-N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID138011110
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name5-amino-N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESNc1ccn2ncc(C(=O)N[C@@]34COC[C@@H]3C4)c2c1
InChIInChI=1S/C13H14N4O2/c14-9-1-2-17-11(3-9)10(5-15-17)12(18)16-13-4-8(13)6-19-7-13/h1-3,5,8H,4,6-7,14H2,(H,16,18)/t8-,13-/m0/s1
InChIKeyGCNMRXOTTNABGT-SDBXPKJASA-N
XLogP0.44
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-amino-N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 138011110) is 5-amino-N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is Nc1ccn2ncc(C(=O)N[C@@]34COC[C@@H]3C4)c2c1.
What is the InChIKey of 5-amino-N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is GCNMRXOTTNABGT-SDBXPKJASA-N. The full InChI is InChI=1S/C13H14N4O2/c14-9-1-2-17-11(3-9)10(5-15-17)12(18)16-13-4-8(13)6-19-7-13/h1-3,5,8H,4,6-7,14H2,(H,16,18)/t8-,13-/m0/s1.
What are the key properties of 5-amino-N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
5-amino-N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 138011110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).