N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyridazin-3-yl]-2-pyridinyl]acetamide

C23H24F2N8O2 — CID 175991052

IUPACN-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyridazin-3-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2ccnc(C(C)(F)F)n2)c(-c2ccc(N3CCC4(COC4)C3)nn2)cn1
InChIInChI=1S/C23H24F2N8O2/c1-14(34)28-19-9-17(29-18-5-7-26-21(30-18)22(2,24)25)15(10-27-19)16-3-4-20(32-31-16)33-8-6-23(11-33)12-35-13-23/h3-5,7,9-10H,6,8,11-13H2,1-2H3,(H2,26,27,28,29,30,34)
InChIKeyHFNQMEKJRAMVJE-UHFFFAOYSA-N
MW482.50 g/mol
LogP3.37
Rot. Bonds6

About N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyridazin-3-yl]-2-pyridinyl]acetamide

N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyridazin-3-yl]-2-pyridinyl]acetamide (PubChem CID 175991052) has the molecular formula C23H24F2N8O2 and a molecular weight of 482.50 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyridazin-3-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyridazin-3-yl]-2-pyridinyl]acetamide
PubChem CID175991052
Molecular FormulaC23H24F2N8O2
Molecular Weight482.50 g/mol
Exact Mass482.20
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyridazin-3-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2ccnc(C(C)(F)F)n2)c(-c2ccc(N3CCC4(COC4)C3)nn2)cn1
InChIInChI=1S/C23H24F2N8O2/c1-14(34)28-19-9-17(29-18-5-7-26-21(30-18)22(2,24)25)15(10-27-19)16-3-4-20(32-31-16)33-8-6-23(11-33)12-35-13-23/h3-5,7,9-10H,6,8,11-13H2,1-2H3,(H2,26,27,28,29,30,34)
InChIKeyHFNQMEKJRAMVJE-UHFFFAOYSA-N
XLogP3.37
TPSA118.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyridazin-3-yl]-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyridazin-3-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyridazin-3-yl]-2-pyridinyl]acetamide (CID 175991052) is N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyridazin-3-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyridazin-3-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyridazin-3-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2ccnc(C(C)(F)F)n2)c(-c2ccc(N3CCC4(COC4)C3)nn2)cn1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyridazin-3-yl]-2-pyridinyl]acetamide?
The InChIKey is HFNQMEKJRAMVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N8O2/c1-14(34)28-19-9-17(29-18-5-7-26-21(30-18)22(2,24)25)15(10-27-19)16-3-4-20(32-31-16)33-8-6-23(11-33)12-35-13-23/h3-5,7,9-10H,6,8,11-13H2,1-2H3,(H2,26,27,28,29,30,34).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyridazin-3-yl]-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyridazin-3-yl]-2-pyridinyl]acetamide has a molecular weight of 482.50 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyridazin-3-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 175991052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).