N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.2]pentane-2-carboxamide

C₃₁H₃₁FN₆O₂ — CID 135327086

About N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.2]pentane-2-carboxamide

N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.2]pentane-2-carboxamide (PubChem CID 135327086) has the molecular formula C₃₁H₃₁FN₆O₂ and a molecular weight of 538.63 g/mol. Its IUPAC name is N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.2]pentane-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.2]pentane-2-carboxamide
• PubChem CID: 135327086
• Molecular Formula: C₃₁H₃₁FN₆O₂
• Molecular Weight: 538.63 g/mol
• Exact Mass: 538.25
• IUPAC Name: N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.2]pentane-2-carboxamide
• SMILES: Cc1ccc2c(NC(=O)C3CC34CC4)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1
• InChI: InChI=1S/C31H31FN6O2/c1-18-6-7-20-21(8-9-24(32)26(20)38-28(39)23-16-31(23)11-12-31)27(18)40-29-22(5-3-14-34-29)25-10-15-35-30(37-25)36-19-4-2-13-33-17-19/h3,5-10,14-15,19,23,33H,2,4,11-13,16-17H2,1H3,(H,38,39)(H,35,36,37)/t19-,23?/m0/s1
• InChIKey: HBHWXORICCIVRL-HSTJUUNISA-N
• XLogP: 5.83
• TPSA: 101.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.63
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.2]pentane-2-carboxamide?

The IUPAC name of N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.2]pentane-2-carboxamide (CID 135327086) is N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.2]pentane-2-carboxamide.

What is the SMILES notation for N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.2]pentane-2-carboxamide?

The canonical SMILES for N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.2]pentane-2-carboxamide is Cc1ccc2c(NC(=O)C3CC34CC4)c(F)ccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.

What is the InChIKey of N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.2]pentane-2-carboxamide?

The InChIKey is HBHWXORICCIVRL-HSTJUUNISA-N. The full InChI is InChI=1S/C31H31FN6O2/c1-18-6-7-20-21(8-9-24(32)26(20)38-28(39)23-16-31(23)11-12-31)27(18)40-29-22(5-3-14-34-29)25-10-15-35-30(37-25)36-19-4-2-13-33-17-19/h3,5-10,14-15,19,23,33H,2,4,11-13,16-17H2,1H3,(H,38,39)(H,35,36,37)/t19-,23?/m0/s1.

What are the key properties of N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.2]pentane-2-carboxamide?

N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.2]pentane-2-carboxamide has a molecular weight of 538.63 g/mol, XLogP of 5.83, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]spiro[2.2]pentane-2-carboxamide is sourced from PubChem (CID 135327086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135327086 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.