(3-hydroxy-3-propan-2-ylazetidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone

C14H17N3O2 — CID 103120226

IUPAC(3-hydroxy-3-propan-2-ylazetidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESCC(C)C1(O)CN(C(=O)c2cnn3ccccc23)C1
InChIInChI=1S/C14H17N3O2/c1-10(2)14(19)8-16(9-14)13(18)11-7-15-17-6-4-3-5-12(11)17/h3-7,10,19H,8-9H2,1-2H3
InChIKeyZISIHIPLVJBKIN-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.18
Rot. Bonds2

About (3-hydroxy-3-propan-2-ylazetidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone

(3-hydroxy-3-propan-2-ylazetidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone (PubChem CID 103120226) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (3-hydroxy-3-propan-2-ylazetidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone.

Molecular Properties

Compound Name(3-hydroxy-3-propan-2-ylazetidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
PubChem CID103120226
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(3-hydroxy-3-propan-2-ylazetidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESCC(C)C1(O)CN(C(=O)c2cnn3ccccc23)C1
InChIInChI=1S/C14H17N3O2/c1-10(2)14(19)8-16(9-14)13(18)11-7-15-17-6-4-3-5-12(11)17/h3-7,10,19H,8-9H2,1-2H3
InChIKeyZISIHIPLVJBKIN-UHFFFAOYSA-N
XLogP1.18
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-propan-2-ylazetidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The IUPAC name of (3-hydroxy-3-propan-2-ylazetidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone (CID 103120226) is (3-hydroxy-3-propan-2-ylazetidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone.
What is the SMILES notation for (3-hydroxy-3-propan-2-ylazetidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The canonical SMILES for (3-hydroxy-3-propan-2-ylazetidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone is CC(C)C1(O)CN(C(=O)c2cnn3ccccc23)C1.
What is the InChIKey of (3-hydroxy-3-propan-2-ylazetidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The InChIKey is ZISIHIPLVJBKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(2)14(19)8-16(9-14)13(18)11-7-15-17-6-4-3-5-12(11)17/h3-7,10,19H,8-9H2,1-2H3.
What are the key properties of (3-hydroxy-3-propan-2-ylazetidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone?
(3-hydroxy-3-propan-2-ylazetidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone has a molecular weight of 259.31 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-propan-2-ylazetidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone is sourced from PubChem (CID 103120226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).