3-(3-fluoro-4-methoxyphenyl)-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

C19H22FN3O3 — CID 134808921

IUPAC3-(3-fluoro-4-methoxyphenyl)-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOc1ccc(-c2n[nH]c3c2CC(=O)N(CC2CCOCC2)C3)cc1F
InChIInChI=1S/C19H22FN3O3/c1-25-17-3-2-13(8-15(17)20)19-14-9-18(24)23(11-16(14)21-22-19)10-12-4-6-26-7-5-12/h2-3,8,12H,4-7,9-11H2,1H3,(H,21,22)
InChIKeyCCGNFLNKMRREEP-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.54
Rot. Bonds4

About 3-(3-fluoro-4-methoxyphenyl)-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

3-(3-fluoro-4-methoxyphenyl)-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134808921) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134808921
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOc1ccc(-c2n[nH]c3c2CC(=O)N(CC2CCOCC2)C3)cc1F
InChIInChI=1S/C19H22FN3O3/c1-25-17-3-2-13(8-15(17)20)19-14-9-18(24)23(11-16(14)21-22-19)10-12-4-6-26-7-5-12/h2-3,8,12H,4-7,9-11H2,1H3,(H,21,22)
InChIKeyCCGNFLNKMRREEP-UHFFFAOYSA-N
XLogP2.54
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134808921) is 3-(3-fluoro-4-methoxyphenyl)-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is COc1ccc(-c2n[nH]c3c2CC(=O)N(CC2CCOCC2)C3)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is CCGNFLNKMRREEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-25-17-3-2-13(8-15(17)20)19-14-9-18(24)23(11-16(14)21-22-19)10-12-4-6-26-7-5-12/h2-3,8,12H,4-7,9-11H2,1H3,(H,21,22).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
3-(3-fluoro-4-methoxyphenyl)-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 359.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134808921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).