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

C21H24F2N6O2 — CID 146586030

IUPAC2-[6-[[4-(3,3-difluoropyrrolidin-1-yl)pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
SMILESNC(=O)c1cccnc1OC1CC2(CC(Nc3nccc(N4CCC(F)(F)C4)n3)C2)C1
InChIInChI=1S/C21H24F2N6O2/c22-21(23)4-7-29(12-21)16-3-6-26-19(28-16)27-13-8-20(9-13)10-14(11-20)31-18-15(17(24)30)2-1-5-25-18/h1-3,5-6,13-14H,4,7-12H2,(H2,24,30)(H,26,27,28)
InChIKeyQWXKZVGIVLKWEK-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.62
Rot. Bonds6

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

2-[6-[[4-(3,3-difluoropyrrolidin-1-yl)pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (PubChem CID 146586030) has the molecular formula C21H24F2N6O2 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-[6-[[4-(3,3-difluoropyrrolidin-1-yl)pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name2-[6-[[4-(3,3-difluoropyrrolidin-1-yl)pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
PubChem CID146586030
Molecular FormulaC21H24F2N6O2
Molecular Weight430.46 g/mol
Exact Mass430.19
IUPAC Name2-[6-[[4-(3,3-difluoropyrrolidin-1-yl)pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
SMILESNC(=O)c1cccnc1OC1CC2(CC(Nc3nccc(N4CCC(F)(F)C4)n3)C2)C1
InChIInChI=1S/C21H24F2N6O2/c22-21(23)4-7-29(12-21)16-3-6-26-19(28-16)27-13-8-20(9-13)10-14(11-20)31-18-15(17(24)30)2-1-5-25-18/h1-3,5-6,13-14H,4,7-12H2,(H2,24,30)(H,26,27,28)
InChIKeyQWXKZVGIVLKWEK-UHFFFAOYSA-N
XLogP2.62
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[[4-(3-fluoropiperidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxypyridine-3-carboxamide
CID 146623218
2-[6-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 153496207
2-[6-[(6-fluoroquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 146586037
2-[6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 146586000
2-[6-[(2,5-dimethylpyrazole-3-carbonyl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 137406181
2-[6-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 146586035
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-7-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 157022094
2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 124585246
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 156699738
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-8-cyclopropylimidazo[1,2-a]pyridine-3-carboxamide
CID 130248314
7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-(2,2-difluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 137413453
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[(2R)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 156699722

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4-(3,3-difluoropyrrolidin-1-yl)pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The IUPAC name of 2-[6-[[4-(3,3-difluoropyrrolidin-1-yl)pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (CID 146586030) is 2-[6-[[4-(3,3-difluoropyrrolidin-1-yl)pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for 2-[6-[[4-(3,3-difluoropyrrolidin-1-yl)pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The canonical SMILES for 2-[6-[[4-(3,3-difluoropyrrolidin-1-yl)pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is NC(=O)c1cccnc1OC1CC2(CC(Nc3nccc(N4CCC(F)(F)C4)n3)C2)C1.
What is the InChIKey of 2-[6-[[4-(3,3-difluoropyrrolidin-1-yl)pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The InChIKey is QWXKZVGIVLKWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N6O2/c22-21(23)4-7-29(12-21)16-3-6-26-19(28-16)27-13-8-20(9-13)10-14(11-20)31-18-15(17(24)30)2-1-5-25-18/h1-3,5-6,13-14H,4,7-12H2,(H2,24,30)(H,26,27,28).
What are the key properties of 2-[6-[[4-(3,3-difluoropyrrolidin-1-yl)pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
2-[6-[[4-(3,3-difluoropyrrolidin-1-yl)pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[4-(3,3-difluoropyrrolidin-1-yl)pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 146586030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).