5-[2-[4-[1-(5-fluoro-6-methoxy-3-pyridinyl)-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-3-yl]pyrazol-1-yl]ethyl]-1-methylpiperidin-2-one

C24H29FN6O3 — CID 166882720

IUPAC5-[2-[4-[1-(5-fluoro-6-methoxy-3-pyridinyl)-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-3-yl]pyrazol-1-yl]ethyl]-1-methylpiperidin-2-one
SMILESCOc1ncc(-n2nc(-c3cnn(CCC4CCC(=O)N(C)C4)c3)c3c2CCOCC3)cc1F
InChIInChI=1S/C24H29FN6O3/c1-29-14-16(3-4-22(29)32)5-8-30-15-17(12-27-30)23-19-6-9-34-10-7-21(19)31(28-23)18-11-20(25)24(33-2)26-13-18/h11-13,15-16H,3-10,14H2,1-2H3
InChIKeyCHPFBMZVAAAXCK-UHFFFAOYSA-N
MW468.53 g/mol
LogP2.65
Rot. Bonds6

About 5-[2-[4-[1-(5-fluoro-6-methoxy-3-pyridinyl)-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-3-yl]pyrazol-1-yl]ethyl]-1-methylpiperidin-2-one

5-[2-[4-[1-(5-fluoro-6-methoxy-3-pyridinyl)-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-3-yl]pyrazol-1-yl]ethyl]-1-methylpiperidin-2-one (PubChem CID 166882720) has the molecular formula C24H29FN6O3 and a molecular weight of 468.53 g/mol. Its IUPAC name is 5-[2-[4-[1-(5-fluoro-6-methoxy-3-pyridinyl)-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-3-yl]pyrazol-1-yl]ethyl]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[2-[4-[1-(5-fluoro-6-methoxy-3-pyridinyl)-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-3-yl]pyrazol-1-yl]ethyl]-1-methylpiperidin-2-one
PubChem CID166882720
Molecular FormulaC24H29FN6O3
Molecular Weight468.53 g/mol
Exact Mass468.23
IUPAC Name5-[2-[4-[1-(5-fluoro-6-methoxy-3-pyridinyl)-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-3-yl]pyrazol-1-yl]ethyl]-1-methylpiperidin-2-one
SMILESCOc1ncc(-n2nc(-c3cnn(CCC4CCC(=O)N(C)C4)c3)c3c2CCOCC3)cc1F
InChIInChI=1S/C24H29FN6O3/c1-29-14-16(3-4-22(29)32)5-8-30-15-17(12-27-30)23-19-6-9-34-10-7-21(19)31(28-23)18-11-20(25)24(33-2)26-13-18/h11-13,15-16H,3-10,14H2,1-2H3
InChIKeyCHPFBMZVAAAXCK-UHFFFAOYSA-N
XLogP2.65
TPSA87.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[2-[4-[1-(5-fluoro-6-methoxy-3-pyridinyl)-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-3-yl]pyrazol-1-yl]ethyl]-1-methylpiperidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[1-(5-fluoro-6-methoxy-3-pyridinyl)-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-3-yl]pyrazol-1-yl]ethyl]-1-methylpiperidin-2-one?
The IUPAC name of 5-[2-[4-[1-(5-fluoro-6-methoxy-3-pyridinyl)-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-3-yl]pyrazol-1-yl]ethyl]-1-methylpiperidin-2-one (CID 166882720) is 5-[2-[4-[1-(5-fluoro-6-methoxy-3-pyridinyl)-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-3-yl]pyrazol-1-yl]ethyl]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[2-[4-[1-(5-fluoro-6-methoxy-3-pyridinyl)-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-3-yl]pyrazol-1-yl]ethyl]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[2-[4-[1-(5-fluoro-6-methoxy-3-pyridinyl)-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-3-yl]pyrazol-1-yl]ethyl]-1-methylpiperidin-2-one is COc1ncc(-n2nc(-c3cnn(CCC4CCC(=O)N(C)C4)c3)c3c2CCOCC3)cc1F.
What is the InChIKey of 5-[2-[4-[1-(5-fluoro-6-methoxy-3-pyridinyl)-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-3-yl]pyrazol-1-yl]ethyl]-1-methylpiperidin-2-one?
The InChIKey is CHPFBMZVAAAXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O3/c1-29-14-16(3-4-22(29)32)5-8-30-15-17(12-27-30)23-19-6-9-34-10-7-21(19)31(28-23)18-11-20(25)24(33-2)26-13-18/h11-13,15-16H,3-10,14H2,1-2H3.
What are the key properties of 5-[2-[4-[1-(5-fluoro-6-methoxy-3-pyridinyl)-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-3-yl]pyrazol-1-yl]ethyl]-1-methylpiperidin-2-one?
5-[2-[4-[1-(5-fluoro-6-methoxy-3-pyridinyl)-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-3-yl]pyrazol-1-yl]ethyl]-1-methylpiperidin-2-one has a molecular weight of 468.53 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[1-(5-fluoro-6-methoxy-3-pyridinyl)-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-3-yl]pyrazol-1-yl]ethyl]-1-methylpiperidin-2-one is sourced from PubChem (CID 166882720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).