6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one

C23H30F3N5O3 — CID 139375817

IUPAC6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one
SMILESCNc1ncc2c(=O)n(CC3(O)CCN(C(=O)[C@H](C)CC(F)(F)F)CC34CCCC4)ccc2n1
InChIInChI=1S/C23H30F3N5O3/c1-15(11-23(24,25)26)18(32)31-10-8-22(34,21(13-31)6-3-4-7-21)14-30-9-5-17-16(19(30)33)12-28-20(27-2)29-17/h5,9,12,15,34H,3-4,6-8,10-11,13-14H2,1-2H3,(H,27,28,29)/t15-,22?/m1/s1
InChIKeyQJFAYVCAMMKYCG-JGHKVMFLSA-N
MW481.52 g/mol
LogP2.95
Rot. Bonds5

About 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one

6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one (PubChem CID 139375817) has the molecular formula C23H30F3N5O3 and a molecular weight of 481.52 g/mol. Its IUPAC name is 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one
PubChem CID139375817
Molecular FormulaC23H30F3N5O3
Molecular Weight481.52 g/mol
Exact Mass481.23
IUPAC Name6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one
SMILESCNc1ncc2c(=O)n(CC3(O)CCN(C(=O)[C@H](C)CC(F)(F)F)CC34CCCC4)ccc2n1
InChIInChI=1S/C23H30F3N5O3/c1-15(11-23(24,25)26)18(32)31-10-8-22(34,21(13-31)6-3-4-7-21)14-30-9-5-17-16(19(30)33)12-28-20(27-2)29-17/h5,9,12,15,34H,3-4,6-8,10-11,13-14H2,1-2H3,(H,27,28,29)/t15-,22?/m1/s1
InChIKeyQJFAYVCAMMKYCG-JGHKVMFLSA-N
XLogP2.95
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one with MolForge

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Related Compounds

US11807646, Example 158
CID 139372631
US11807646, Example 63
CID 139375394
US11807646, Example 60
CID 139375523
US11807646, Example 58
CID 139375545
US11807646, Example 56
CID 139375558
US11807646, Example 62
CID 139375575
US11807646, Example 61
CID 139375805
US11807646, Example 55
CID 139375807
US11807646, Example 59
CID 139375395
US11807646, Example 159
CID 139375811
6-[[10-Hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-methoxypyrido[4,3-d]pyrimidin-5-one
CID 139375381
6-[[10-Hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-piperazin-1-ylpyrido[4,3-d]pyrimidin-5-one
CID 139375385

Frequently Asked Questions

What is the IUPAC name of 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one (CID 139375817) is 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one is CNc1ncc2c(=O)n(CC3(O)CCN(C(=O)[C@H](C)CC(F)(F)F)CC34CCCC4)ccc2n1.
What is the InChIKey of 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is QJFAYVCAMMKYCG-JGHKVMFLSA-N. The full InChI is InChI=1S/C23H30F3N5O3/c1-15(11-23(24,25)26)18(32)31-10-8-22(34,21(13-31)6-3-4-7-21)14-30-9-5-17-16(19(30)33)12-28-20(27-2)29-17/h5,9,12,15,34H,3-4,6-8,10-11,13-14H2,1-2H3,(H,27,28,29)/t15-,22?/m1/s1.
What are the key properties of 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one?
6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 481.52 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 139375817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).