6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-methyl-8-azaspiro[4.5]dec-2-en-8-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one

C32H33F2N5O2 — CID 155344879

About 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-methyl-8-azaspiro[4.5]dec-2-en-8-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one

6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-methyl-8-azaspiro[4.5]dec-2-en-8-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 155344879) has the molecular formula C32H33F2N5O2 and a molecular weight of 557.65 g/mol. Its IUPAC name is 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-methyl-8-azaspiro[4.5]dec-2-en-8-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-methyl-8-azaspiro[4.5]dec-2-en-8-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 155344879
• Molecular Formula: C32H33F2N5O2
• Molecular Weight: 557.65 g/mol
• Exact Mass: 557.26
• IUPAC Name: 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-methyl-8-azaspiro[4.5]dec-2-en-8-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
• SMILES: Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2CCC3(CC=CC3C)CC2)c2cc(F)c(-c3c(O)cccc3F)nc21
• InChI: InChI=1S/C32H33F2N5O2/c1-18(2)26-28(19(3)10-14-35-26)39-30-21(17-23(34)27(36-30)25-22(33)8-5-9-24(25)40)29(37-31(39)41)38-15-12-32(13-16-38)11-6-7-20(32)4/h5-10,14,17-18,20,40H,11-13,15-16H2,1-4H3
• InChIKey: ZTTPZRRDKGNZTO-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 84.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.65
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-methyl-8-azaspiro[4.5]dec-2-en-8-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-methyl-8-azaspiro[4.5]dec-2-en-8-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one (CID 155344879) is 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-methyl-8-azaspiro[4.5]dec-2-en-8-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-methyl-8-azaspiro[4.5]dec-2-en-8-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-methyl-8-azaspiro[4.5]dec-2-en-8-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one is Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2CCC3(CC=CC3C)CC2)c2cc(F)c(-c3c(O)cccc3F)nc21.

What is the InChIKey of 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-methyl-8-azaspiro[4.5]dec-2-en-8-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is ZTTPZRRDKGNZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F2N5O2/c1-18(2)26-28(19(3)10-14-35-26)39-30-21(17-23(34)27(36-30)25-22(33)8-5-9-24(25)40)29(37-31(39)41)38-15-12-32(13-16-38)11-6-7-20(32)4/h5-10,14,17-18,20,40H,11-13,15-16H2,1-4H3.

What are the key properties of 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-methyl-8-azaspiro[4.5]dec-2-en-8-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?

6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-methyl-8-azaspiro[4.5]dec-2-en-8-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 557.65 g/mol, XLogP of 6.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-methyl-8-azaspiro[4.5]dec-2-en-8-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 155344879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).