(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone

C19H18N6O4 — CID 68728674

IUPAC(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone
SMILESCC(=O)c1cnn2ccc(N)cc12.CC(=O)c1cnn2ccc(NC(=O)O)cc12
InChIInChI=1S/C10H9N3O3.C9H9N3O/c1-6(14)8-5-11-13-3-2-7(4-9(8)13)12-10(15)16;1-6(13)8-5-11-12-3-2-7(10)4-9(8)12/h2-5,12H,1H3,(H,15,16);2-5H,10H2,1H3
InChIKeyLBMPPQIYTFYQLI-UHFFFAOYSA-N
MW394.39 g/mol
LogP2.75
Rot. Bonds3

About (3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone

(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone (PubChem CID 68728674) has the molecular formula C19H18N6O4 and a molecular weight of 394.39 g/mol. Its IUPAC name is (3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone
PubChem CID68728674
Molecular FormulaC19H18N6O4
Molecular Weight394.39 g/mol
Exact Mass394.14
IUPAC Name(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone
SMILESCC(=O)c1cnn2ccc(N)cc12.CC(=O)c1cnn2ccc(NC(=O)O)cc12
InChIInChI=1S/C10H9N3O3.C9H9N3O/c1-6(14)8-5-11-13-3-2-7(4-9(8)13)12-10(15)16;1-6(13)8-5-11-12-3-2-7(10)4-9(8)12/h2-5,12H,1H3,(H,15,16);2-5H,10H2,1H3
InChIKeyLBMPPQIYTFYQLI-UHFFFAOYSA-N
XLogP2.75
TPSA144.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone?
The IUPAC name of (3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone (CID 68728674) is (3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone.
What is the SMILES notation for (3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone?
The canonical SMILES for (3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone is CC(=O)c1cnn2ccc(N)cc12.CC(=O)c1cnn2ccc(NC(=O)O)cc12.
What is the InChIKey of (3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone?
The InChIKey is LBMPPQIYTFYQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3.C9H9N3O/c1-6(14)8-5-11-13-3-2-7(4-9(8)13)12-10(15)16;1-6(13)8-5-11-12-3-2-7(10)4-9(8)12/h2-5,12H,1H3,(H,15,16);2-5H,10H2,1H3.
What are the key properties of (3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone?
(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone has a molecular weight of 394.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone is sourced from PubChem (CID 68728674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).