(2R)-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.3]hexane-2-carboxamide

C32H33FN6O2 — CID 135328119

About (2R)-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.3]hexane-2-carboxamide

(2R)-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.3]hexane-2-carboxamide (PubChem CID 135328119) has the molecular formula C32H33FN6O2 and a molecular weight of 552.65 g/mol. Its IUPAC name is (2R)-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.3]hexane-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.3]hexane-2-carboxamide
• PubChem CID: 135328119
• Molecular Formula: C32H33FN6O2
• Molecular Weight: 552.65 g/mol
• Exact Mass: 552.26
• IUPAC Name: (2R)-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.3]hexane-2-carboxamide
• SMILES: Cc1ccc2c(NC(=O)[C@@H]3CC34CCC4)c(F)ccc2c1Oc1ncccc1-c1ccnc(NC2CCCNC2)n1
• InChI: InChI=1S/C32H33FN6O2/c1-19-7-8-21-22(9-10-25(33)27(21)39-29(40)24-17-32(24)12-4-13-32)28(19)41-30-23(6-3-15-35-30)26-11-16-36-31(38-26)37-20-5-2-14-34-18-20/h3,6-11,15-16,20,24,34H,2,4-5,12-14,17-18H2,1H3,(H,39,40)(H,36,37,38)/t20?,24-/m0/s1
• InChIKey: PGODMMKDERQAEU-JWIMYKKASA-N
• XLogP: 6.22
• TPSA: 101.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.65
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.3]hexane-2-carboxamide?

The IUPAC name of (2R)-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.3]hexane-2-carboxamide (CID 135328119) is (2R)-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.3]hexane-2-carboxamide.

What is the SMILES notation for (2R)-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.3]hexane-2-carboxamide?

The canonical SMILES for (2R)-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.3]hexane-2-carboxamide is Cc1ccc2c(NC(=O)[C@@H]3CC34CCC4)c(F)ccc2c1Oc1ncccc1-c1ccnc(NC2CCCNC2)n1.

What is the InChIKey of (2R)-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.3]hexane-2-carboxamide?

The InChIKey is PGODMMKDERQAEU-JWIMYKKASA-N. The full InChI is InChI=1S/C32H33FN6O2/c1-19-7-8-21-22(9-10-25(33)27(21)39-29(40)24-17-32(24)12-4-13-32)28(19)41-30-23(6-3-15-35-30)26-11-16-36-31(38-26)37-20-5-2-14-34-18-20/h3,6-11,15-16,20,24,34H,2,4-5,12-14,17-18H2,1H3,(H,39,40)(H,36,37,38)/t20?,24-/m0/s1.

What are the key properties of (2R)-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.3]hexane-2-carboxamide?

(2R)-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.3]hexane-2-carboxamide has a molecular weight of 552.65 g/mol, XLogP of 6.22, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.3]hexane-2-carboxamide is sourced from PubChem (CID 135328119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).