1-(cyclopropylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C26H31F3N4O — CID 130201390

IUPAC1-(cyclopropylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)cc1C)C(=O)N2CC1CC1
InChIInChI=1S/C26H31F3N4O/c1-18-14-22(26(27,28)29)31-15-21(18)32-17-24(33(23(32)34)16-19-8-9-19)10-12-25(30-2,13-11-24)20-6-4-3-5-7-20/h3-7,14-15,19,30H,8-13,16-17H2,1-2H3
InChIKeyVQZGEZWXJQFTAL-UHFFFAOYSA-N
MW472.56 g/mol
LogP5.49
Rot. Bonds5

About 1-(cyclopropylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

1-(cyclopropylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201390) has the molecular formula C26H31F3N4O and a molecular weight of 472.56 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201390
Molecular FormulaC26H31F3N4O
Molecular Weight472.56 g/mol
Exact Mass472.24
IUPAC Name1-(cyclopropylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)cc1C)C(=O)N2CC1CC1
InChIInChI=1S/C26H31F3N4O/c1-18-14-22(26(27,28)29)31-15-21(18)32-17-24(33(23(32)34)16-19-8-9-19)10-12-25(30-2,13-11-24)20-6-4-3-5-7-20/h3-7,14-15,19,30H,8-13,16-17H2,1-2H3
InChIKeyVQZGEZWXJQFTAL-UHFFFAOYSA-N
XLogP5.49
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.56
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130201390) is 1-(cyclopropylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)cc1C)C(=O)N2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is VQZGEZWXJQFTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3N4O/c1-18-14-22(26(27,28)29)31-15-21(18)32-17-24(33(23(32)34)16-19-8-9-19)10-12-25(30-2,13-11-24)20-6-4-3-5-7-20/h3-7,14-15,19,30H,8-13,16-17H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclopropylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 472.56 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).