8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one

C50H60F6N10O4 — CID 161333051

IUPAC8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCCNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1(O)CCC1.NC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C26H32F3N5O2.C24H28F3N5O2/c1-2-32-25(19-7-4-3-5-8-19)13-11-23(12-14-25)17-33(20-15-30-21(31-16-20)26(27,28)29)22(35)34(23)18-24(36)9-6-10-24;25-24(26,27)19-29-13-18(14-30-19)31-15-21(32(20(31)33)16-22(34)7-4-8-22)9-11-23(28,12-10-21)17-5-2-1-3-6-17/h3-5,7-8,15-16,32,36H,2,6,9-14,17-18H2,1H3;1-3,5-6,13-14,34H,4,7-12,15-16,28H2
InChIKeyVLRCHROGKXUQPK-UHFFFAOYSA-N
MW979.08 g/mol
LogP8.29
Rot. Bonds10

About 8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one

8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 161333051) has the molecular formula C50H60F6N10O4 and a molecular weight of 979.08 g/mol. Its IUPAC name is 8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
PubChem CID161333051
Molecular FormulaC50H60F6N10O4
Molecular Weight979.08 g/mol
Exact Mass978.47
IUPAC Name8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCCNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1(O)CCC1.NC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C26H32F3N5O2.C24H28F3N5O2/c1-2-32-25(19-7-4-3-5-8-19)13-11-23(12-14-25)17-33(20-15-30-21(31-16-20)26(27,28)29)22(35)34(23)18-24(36)9-6-10-24;25-24(26,27)19-29-13-18(14-30-19)31-15-21(32(20(31)33)16-22(34)7-4-8-22)9-11-23(28,12-10-21)17-5-2-1-3-6-17/h3-5,7-8,15-16,32,36H,2,6,9-14,17-18H2,1H3;1-3,5-6,13-14,34H,4,7-12,15-16,28H2
InChIKeyVLRCHROGKXUQPK-UHFFFAOYSA-N
XLogP8.29
TPSA177.17 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500979.08
LogP ≤ 58.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

US10807988, Example SC_3248
CID 130201317
US10807988, Example SC_3262
CID 130201380
US10807988, Example SC_3275
CID 130201383
US10807988, Example SC_3255
CID 130201468
US10807988, Example SC_3102
CID 130200986
US10807988, Example SC_3100
CID 130201285
US10807988, Example SC_3101
CID 130201322
US10793528, Example SC_5051
CID 130200818
US10807989, Example SC_1137
CID 130200820
US10793528, Example SC_5022
CID 130200873
US10807988, Example SC_3276
CID 130200918
US10807988, Example SC_3257
CID 130201025

Frequently Asked Questions

What is the IUPAC name of 8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one (CID 161333051) is 8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one is CCNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1(O)CCC1.NC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is VLRCHROGKXUQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N5O2.C24H28F3N5O2/c1-2-32-25(19-7-4-3-5-8-19)13-11-23(12-14-25)17-33(20-15-30-21(31-16-20)26(27,28)29)22(35)34(23)18-24(36)9-6-10-24;25-24(26,27)19-29-13-18(14-30-19)31-15-21(32(20(31)33)16-22(34)7-4-8-22)9-11-23(28,12-10-21)17-5-2-1-3-6-17/h3-5,7-8,15-16,32,36H,2,6,9-14,17-18H2,1H3;1-3,5-6,13-14,34H,4,7-12,15-16,28H2.
What are the key properties of 8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 979.08 g/mol, XLogP of 8.29, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 161333051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).