2-[5-[4-(cyclopropyloxymethyl)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-6-methoxy-2-pyridinyl]acetamide

C34H34F4N6O4 — CID 178084410

IUPAC2-[5-[4-(cyclopropyloxymethyl)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-6-methoxy-2-pyridinyl]acetamide
SMILESCOc1nc(CC(N)=O)ccc1-c1cc(F)c(COC2CC2)c(N2CCC3(CC2)N=C(c2ccc(C(F)(F)F)nc2C2CC2)NC3=O)c1
InChIInChI=1S/C34H34F4N6O4/c1-47-31-22(7-4-20(40-31)16-28(39)45)19-14-25(35)24(17-48-21-5-6-21)26(15-19)44-12-10-33(11-13-44)32(46)42-30(43-33)23-8-9-27(34(36,37)38)41-29(23)18-2-3-18/h4,7-9,14-15,18,21H,2-3,5-6,10-13,16-17H2,1H3,(H2,39,45)(H,42,43,46)
InChIKeyDGMBWNCPDVEUTK-UHFFFAOYSA-N
MW666.68 g/mol
LogP4.81
Rot. Bonds10

About 2-[5-[4-(cyclopropyloxymethyl)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-6-methoxy-2-pyridinyl]acetamide

2-[5-[4-(cyclopropyloxymethyl)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-6-methoxy-2-pyridinyl]acetamide (PubChem CID 178084410) has the molecular formula C34H34F4N6O4 and a molecular weight of 666.68 g/mol. Its IUPAC name is 2-[5-[4-(cyclopropyloxymethyl)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-6-methoxy-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[5-[4-(cyclopropyloxymethyl)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-6-methoxy-2-pyridinyl]acetamide
PubChem CID178084410
Molecular FormulaC34H34F4N6O4
Molecular Weight666.68 g/mol
Exact Mass666.26
IUPAC Name2-[5-[4-(cyclopropyloxymethyl)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-6-methoxy-2-pyridinyl]acetamide
SMILESCOc1nc(CC(N)=O)ccc1-c1cc(F)c(COC2CC2)c(N2CCC3(CC2)N=C(c2ccc(C(F)(F)F)nc2C2CC2)NC3=O)c1
InChIInChI=1S/C34H34F4N6O4/c1-47-31-22(7-4-20(40-31)16-28(39)45)19-14-25(35)24(17-48-21-5-6-21)26(15-19)44-12-10-33(11-13-44)32(46)42-30(43-33)23-8-9-27(34(36,37)38)41-29(23)18-2-3-18/h4,7-9,14-15,18,21H,2-3,5-6,10-13,16-17H2,1H3,(H2,39,45)(H,42,43,46)
InChIKeyDGMBWNCPDVEUTK-UHFFFAOYSA-N
XLogP4.81
TPSA132.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500666.68
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[5-[4-(cyclopropyloxymethyl)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-6-methoxy-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(cyclopropyloxymethyl)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-6-methoxy-2-pyridinyl]acetamide?
The IUPAC name of 2-[5-[4-(cyclopropyloxymethyl)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-6-methoxy-2-pyridinyl]acetamide (CID 178084410) is 2-[5-[4-(cyclopropyloxymethyl)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-6-methoxy-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[5-[4-(cyclopropyloxymethyl)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-6-methoxy-2-pyridinyl]acetamide?
The canonical SMILES for 2-[5-[4-(cyclopropyloxymethyl)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-6-methoxy-2-pyridinyl]acetamide is COc1nc(CC(N)=O)ccc1-c1cc(F)c(COC2CC2)c(N2CCC3(CC2)N=C(c2ccc(C(F)(F)F)nc2C2CC2)NC3=O)c1.
What is the InChIKey of 2-[5-[4-(cyclopropyloxymethyl)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-6-methoxy-2-pyridinyl]acetamide?
The InChIKey is DGMBWNCPDVEUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34F4N6O4/c1-47-31-22(7-4-20(40-31)16-28(39)45)19-14-25(35)24(17-48-21-5-6-21)26(15-19)44-12-10-33(11-13-44)32(46)42-30(43-33)23-8-9-27(34(36,37)38)41-29(23)18-2-3-18/h4,7-9,14-15,18,21H,2-3,5-6,10-13,16-17H2,1H3,(H2,39,45)(H,42,43,46).
What are the key properties of 2-[5-[4-(cyclopropyloxymethyl)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-6-methoxy-2-pyridinyl]acetamide?
2-[5-[4-(cyclopropyloxymethyl)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-6-methoxy-2-pyridinyl]acetamide has a molecular weight of 666.68 g/mol, XLogP of 4.81, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(cyclopropyloxymethyl)-3-[2-[2-cyclopropyl-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-5-fluorophenyl]-6-methoxy-2-pyridinyl]acetamide is sourced from PubChem (CID 178084410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).