2-[6-[[4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide

C23H27F3N6O2 — CID 153496213

IUPAC2-[6-[[4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
SMILESNC(=O)c1cccnc1OC1CC2(CC(Nc3nccc(N4CCC(C(F)(F)F)CC4)n3)C2)C1
InChIInChI=1S/C23H27F3N6O2/c24-23(25,26)14-4-8-32(9-5-14)18-3-7-29-21(31-18)30-15-10-22(11-15)12-16(13-22)34-20-17(19(27)33)2-1-6-28-20/h1-3,6-7,14-16H,4-5,8-13H2,(H2,27,33)(H,29,30,31)
InChIKeyJEZOKAXNWMVCBQ-UHFFFAOYSA-N
MW476.50 g/mol
LogP3.55
Rot. Bonds6

About 2-[6-[[4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide

2-[6-[[4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (PubChem CID 153496213) has the molecular formula C23H27F3N6O2 and a molecular weight of 476.50 g/mol. Its IUPAC name is 2-[6-[[4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name2-[6-[[4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
PubChem CID153496213
Molecular FormulaC23H27F3N6O2
Molecular Weight476.50 g/mol
Exact Mass476.21
IUPAC Name2-[6-[[4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
SMILESNC(=O)c1cccnc1OC1CC2(CC(Nc3nccc(N4CCC(C(F)(F)F)CC4)n3)C2)C1
InChIInChI=1S/C23H27F3N6O2/c24-23(25,26)14-4-8-32(9-5-14)18-3-7-29-21(31-18)30-15-10-22(11-15)12-16(13-22)34-20-17(19(27)33)2-1-6-28-20/h1-3,6-7,14-16H,4-5,8-13H2,(H2,27,33)(H,29,30,31)
InChIKeyJEZOKAXNWMVCBQ-UHFFFAOYSA-N
XLogP3.55
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The IUPAC name of 2-[6-[[4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (CID 153496213) is 2-[6-[[4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for 2-[6-[[4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The canonical SMILES for 2-[6-[[4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is NC(=O)c1cccnc1OC1CC2(CC(Nc3nccc(N4CCC(C(F)(F)F)CC4)n3)C2)C1.
What is the InChIKey of 2-[6-[[4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The InChIKey is JEZOKAXNWMVCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N6O2/c24-23(25,26)14-4-8-32(9-5-14)18-3-7-29-21(31-18)30-15-10-22(11-15)12-16(13-22)34-20-17(19(27)33)2-1-6-28-20/h1-3,6-7,14-16H,4-5,8-13H2,(H2,27,33)(H,29,30,31).
What are the key properties of 2-[6-[[4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
2-[6-[[4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide has a molecular weight of 476.50 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 153496213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).