8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one

C103H126N22O6S — CID 160861571

IUPAC8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-n3ccc4cccnc43)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(CC3CCOCC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCC(O)CC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1nc(-c3ccccc3)cs1)C(=O)N2
InChIInChI=1S/C27H29N7O.C26H35N5O2.C25H34N6O2.C25H28N4OS/c1-32(2)27(21-8-4-3-5-9-21)13-11-26(12-14-27)19-34(25(35)31-26)22-17-29-24(30-18-22)33-16-10-20-7-6-15-28-23(20)33;1-30(2)26(21-6-4-3-5-7-21)12-10-25(11-13-26)19-31(24(32)29-25)22-17-27-23(28-18-22)16-20-8-14-33-15-9-20;1-29(2)25(19-6-4-3-5-7-19)12-10-24(11-13-25)18-31(23(33)28-24)20-16-26-22(27-17-20)30-14-8-21(32)9-15-30;1-28(2)25(20-11-7-4-8-12-20)15-13-24(14-16-25)18-29(22(30)27-24)23-26-21(17-31-23)19-9-5-3-6-10-19/h3-10,15-18H,11-14,19H2,1-2H3,(H,31,35);3-7,17-18,20H,8-16,19H2,1-2H3,(H,29,32);3-7,16-17,21,32H,8-15,18H2,1-2H3,(H,28,33);3-12,17H,13-16,18H2,1-2H3,(H,27,30)
InChIKeySKODTPBRGQZJGJ-UHFFFAOYSA-N
MW1800.36 g/mol
LogP15.71
Rot. Bonds17

About 8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 160861571) has the molecular formula C103H126N22O6S and a molecular weight of 1800.36 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID160861571
Molecular FormulaC103H126N22O6S
Molecular Weight1800.36 g/mol
Exact Mass1799.00
IUPAC Name8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-n3ccc4cccnc43)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(CC3CCOCC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCC(O)CC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1nc(-c3ccccc3)cs1)C(=O)N2
InChIInChI=1S/C27H29N7O.C26H35N5O2.C25H34N6O2.C25H28N4OS/c1-32(2)27(21-8-4-3-5-9-21)13-11-26(12-14-27)19-34(25(35)31-26)22-17-29-24(30-18-22)33-16-10-20-7-6-15-28-23(20)33;1-30(2)26(21-6-4-3-5-7-21)12-10-25(11-13-26)19-31(24(32)29-25)22-17-27-23(28-18-22)16-20-8-14-33-15-9-20;1-29(2)25(19-6-4-3-5-7-19)12-10-24(11-13-25)18-31(23(33)28-24)20-16-26-22(27-17-20)30-14-8-21(32)9-15-30;1-28(2)25(20-11-7-4-8-12-20)15-13-24(14-16-25)18-29(22(30)27-24)23-26-21(17-31-23)19-9-5-3-6-10-19/h3-10,15-18H,11-14,19H2,1-2H3,(H,31,35);3-7,17-18,20H,8-16,19H2,1-2H3,(H,29,32);3-7,16-17,21,32H,8-15,18H2,1-2H3,(H,28,33);3-12,17H,13-16,18H2,1-2H3,(H,27,30)
InChIKeySKODTPBRGQZJGJ-UHFFFAOYSA-N
XLogP15.71
TPSA283.07 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001800.36
LogP ≤ 515.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one (CID 160861571) is 8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-n3ccc4cccnc43)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(CC3CCOCC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCC(O)CC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1nc(-c3ccccc3)cs1)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is SKODTPBRGQZJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O.C26H35N5O2.C25H34N6O2.C25H28N4OS/c1-32(2)27(21-8-4-3-5-9-21)13-11-26(12-14-27)19-34(25(35)31-26)22-17-29-24(30-18-22)33-16-10-20-7-6-15-28-23(20)33;1-30(2)26(21-6-4-3-5-7-21)12-10-25(11-13-26)19-31(24(32)29-25)22-17-27-23(28-18-22)16-20-8-14-33-15-9-20;1-29(2)25(19-6-4-3-5-7-19)12-10-24(11-13-25)18-31(23(33)28-24)20-16-26-22(27-17-20)30-14-8-21(32)9-15-30;1-28(2)25(20-11-7-4-8-12-20)15-13-24(14-16-25)18-29(22(30)27-24)23-26-21(17-31-23)19-9-5-3-6-10-19/h3-10,15-18H,11-14,19H2,1-2H3,(H,31,35);3-7,17-18,20H,8-16,19H2,1-2H3,(H,29,32);3-7,16-17,21,32H,8-15,18H2,1-2H3,(H,28,33);3-12,17H,13-16,18H2,1-2H3,(H,27,30).
What are the key properties of 8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 1800.36 g/mol, XLogP of 15.71, 17 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 160861571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).