3-(6-azaspiro[2.5]octan-6-yl)-5-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrazine-2-carboxamide

C22H26ClF2N7O — CID 153054995

IUPAC3-(6-azaspiro[2.5]octan-6-yl)-5-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)c2ncc(Cl)nc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C22H26ClF2N7O/c1-14-12-16(30-20(27-14)32-10-6-22(24,25)7-11-32)29-19(33)17-18(28-15(23)13-26-17)31-8-4-21(2-3-21)5-9-31/h12-13H,2-11H2,1H3,(H,27,29,30,33)
InChIKeyVIHPFOUHMUUUAG-UHFFFAOYSA-N
MW477.95 g/mol
LogP4.10
Rot. Bonds4

About 3-(6-azaspiro[2.5]octan-6-yl)-5-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrazine-2-carboxamide

3-(6-azaspiro[2.5]octan-6-yl)-5-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrazine-2-carboxamide (PubChem CID 153054995) has the molecular formula C22H26ClF2N7O and a molecular weight of 477.95 g/mol. Its IUPAC name is 3-(6-azaspiro[2.5]octan-6-yl)-5-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(6-azaspiro[2.5]octan-6-yl)-5-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrazine-2-carboxamide
PubChem CID153054995
Molecular FormulaC22H26ClF2N7O
Molecular Weight477.95 g/mol
Exact Mass477.19
IUPAC Name3-(6-azaspiro[2.5]octan-6-yl)-5-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)c2ncc(Cl)nc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C22H26ClF2N7O/c1-14-12-16(30-20(27-14)32-10-6-22(24,25)7-11-32)29-19(33)17-18(28-15(23)13-26-17)31-8-4-21(2-3-21)5-9-31/h12-13H,2-11H2,1H3,(H,27,29,30,33)
InChIKeyVIHPFOUHMUUUAG-UHFFFAOYSA-N
XLogP4.10
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.95
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(6-azaspiro[2.5]octan-6-yl)-5-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(6-azaspiro[2.5]octan-6-yl)-5-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-(6-azaspiro[2.5]octan-6-yl)-5-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrazine-2-carboxamide (CID 153054995) is 3-(6-azaspiro[2.5]octan-6-yl)-5-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-(6-azaspiro[2.5]octan-6-yl)-5-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-(6-azaspiro[2.5]octan-6-yl)-5-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrazine-2-carboxamide is Cc1cc(NC(=O)c2ncc(Cl)nc2N2CCC3(CC2)CC3)nc(N2CCC(F)(F)CC2)n1.
What is the InChIKey of 3-(6-azaspiro[2.5]octan-6-yl)-5-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is VIHPFOUHMUUUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClF2N7O/c1-14-12-16(30-20(27-14)32-10-6-22(24,25)7-11-32)29-19(33)17-18(28-15(23)13-26-17)31-8-4-21(2-3-21)5-9-31/h12-13H,2-11H2,1H3,(H,27,29,30,33).
What are the key properties of 3-(6-azaspiro[2.5]octan-6-yl)-5-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrazine-2-carboxamide?
3-(6-azaspiro[2.5]octan-6-yl)-5-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 477.95 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-azaspiro[2.5]octan-6-yl)-5-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 153054995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).