CID 176925264

C34H38F3N6O4Pb — CID 176925264

IUPAC—
SMILESCC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CC(Oc3ccnc4c3C(CO)N(C[Pb])CC4)C2)C1)C1CC(F)(F)C1
InChIInChI=1S/C34H38F3N6O4.Pb/c1-20(2)43(22-11-34(36,37)12-22)32(45)24-10-21(35)4-5-27(24)47-29-15-38-19-40-31(29)42-17-33(18-42)13-23(14-33)46-28-6-8-39-25-7-9-41(3)26(16-44)30(25)28;/h4-6,8,10,15,19-20,22-23,26,44H,3,7,9,11-14,16-18H2,1-2H3;
InChIKeyZLDFEFIVTVCZNW-UHFFFAOYSA-N
MW858.91 g/mol
LogP4.52
Rot. Bonds10

About CID 176925264

CID 176925264 (PubChem CID 176925264) has the molecular formula C34H38F3N6O4Pb and a molecular weight of 858.91 g/mol.

Molecular Properties

Compound NameCID 176925264
PubChem CID176925264
Molecular FormulaC34H38F3N6O4Pb
Molecular Weight858.91 g/mol
Exact Mass859.27
IUPAC Name—
SMILESCC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CC(Oc3ccnc4c3C(CO)N(C[Pb])CC4)C2)C1)C1CC(F)(F)C1
InChIInChI=1S/C34H38F3N6O4.Pb/c1-20(2)43(22-11-34(36,37)12-22)32(45)24-10-21(35)4-5-27(24)47-29-15-38-19-40-31(29)42-17-33(18-42)13-23(14-33)46-28-6-8-39-25-7-9-41(3)26(16-44)30(25)28;/h4-6,8,10,15,19-20,22-23,26,44H,3,7,9,11-14,16-18H2,1-2H3;
InChIKeyZLDFEFIVTVCZNW-UHFFFAOYSA-N
XLogP4.52
TPSA104.15 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500858.91
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3,3-difluorocyclobutyl)-2-[4-[6-[[5-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-N-propan-2-ylbenzamide
CID 176923079
CID 176924284
CID 176924284
N-(3,3-difluorocyclobutyl)-5-fluoro-2-[4-[4-[[5-(3-hydroxypropyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-4-yl]oxy]piperidin-1-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide
CID 176923304
lithium 2-[4-[6-[(6-benzyl-5-methyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-5-fluorobenzoate
CID 176924787
2-[4-[6-(5,6,8,9,10,10a-hexahydropyrrolo[2,1-f][1,6]naphthyridin-1-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-ethyl-5-fluoro-N-propan-2-ylbenzamide;N,N-dimethylethanamine
CID 176924655
5-fluoro-N-(oxetan-3-yl)-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide
CID 176923472
ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-[(6-propyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide
CID 176923874
N-ethyl-5-fluoro-2-[4-[6-[[6-(2-hydroxy-2-methylpropyl)-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide
CID 176924380
ethane;5-fluoro-N-propan-2-yl-N-pyridin-4-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide
CID 176923632
2-[4-[6-[[6-(3-chloropropyl)-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide;ethane
CID 176923048
N-ethyl-5-fluoro-2-[4-[6-[[6-(2-morpholin-4-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide
CID 176924339
5-fluoro-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-(2,2,2-trifluoroethyl)benzamide
CID 176923455

Frequently Asked Questions

What is the IUPAC name of CID 176925264?
The IUPAC name of CID 176925264 (CID 176925264) is not available.
What is the SMILES notation for CID 176925264?
The canonical SMILES for CID 176925264 is CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CC(Oc3ccnc4c3C(CO)N(C[Pb])CC4)C2)C1)C1CC(F)(F)C1.
What is the InChIKey of CID 176925264?
The InChIKey is ZLDFEFIVTVCZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38F3N6O4.Pb/c1-20(2)43(22-11-34(36,37)12-22)32(45)24-10-21(35)4-5-27(24)47-29-15-38-19-40-31(29)42-17-33(18-42)13-23(14-33)46-28-6-8-39-25-7-9-41(3)26(16-44)30(25)28;/h4-6,8,10,15,19-20,22-23,26,44H,3,7,9,11-14,16-18H2,1-2H3;.
What are the key properties of CID 176925264?
CID 176925264 has a molecular weight of 858.91 g/mol, XLogP of 4.52, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176925264 is sourced from PubChem (CID 176925264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).