4-(2-prop-2-enoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one

C15H15N3O2 — CID 135637481

IUPAC4-(2-prop-2-enoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
SMILESC=CCOc1ccccc1C1CC(=O)Nc2[nH]ncc21
InChIInChI=1S/C15H15N3O2/c1-2-7-20-13-6-4-3-5-10(13)11-8-14(19)17-15-12(11)9-16-18-15/h2-6,9,11H,1,7-8H2,(H2,16,17,18,19)
InChIKeyPBVJWUJRWWMIIQ-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.45
Rot. Bonds4

About 4-(2-prop-2-enoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one

4-(2-prop-2-enoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one (PubChem CID 135637481) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-(2-prop-2-enoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(2-prop-2-enoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
PubChem CID135637481
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-(2-prop-2-enoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
SMILESC=CCOc1ccccc1C1CC(=O)Nc2[nH]ncc21
InChIInChI=1S/C15H15N3O2/c1-2-7-20-13-6-4-3-5-10(13)11-8-14(19)17-15-12(11)9-16-18-15/h2-6,9,11H,1,7-8H2,(H2,16,17,18,19)
InChIKeyPBVJWUJRWWMIIQ-UHFFFAOYSA-N
XLogP2.45
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-[2-[(2-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135930793
(4R)-4-[2-[(3-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135902813
4-(2-bromophenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135637582
(4S)-4-(2-bromophenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135901925
(4S)-4-(2-chlorophenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135902621
4-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135634021
(7S)-3-phenyl-7-(2-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 92715891
(4R)-4-(3-prop-2-ynoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135950651
(7R)-3-(4-fluorophenyl)-7-(2-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086519
4-(2-prop-2-enoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 13486195
(7R)-3-(2-fluorophenyl)-7-(2-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086268
4-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 163216555

Frequently Asked Questions

What is the IUPAC name of 4-(2-prop-2-enoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(2-prop-2-enoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one (CID 135637481) is 4-(2-prop-2-enoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(2-prop-2-enoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(2-prop-2-enoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one is C=CCOc1ccccc1C1CC(=O)Nc2[nH]ncc21.
What is the InChIKey of 4-(2-prop-2-enoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The InChIKey is PBVJWUJRWWMIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-7-20-13-6-4-3-5-10(13)11-8-14(19)17-15-12(11)9-16-18-15/h2-6,9,11H,1,7-8H2,(H2,16,17,18,19).
What are the key properties of 4-(2-prop-2-enoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
4-(2-prop-2-enoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one has a molecular weight of 269.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-prop-2-enoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135637481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).