3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-one

C28H40N4O3 — CID 139375645

IUPAC3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2cnccc2c(=O)n1CC1(O)CCN(C(=O)[C@H](C)CC2CCCCC2)CC12CCCC2
InChIInChI=1S/C28H40N4O3/c1-20(16-22-8-4-3-5-9-22)25(33)31-15-13-28(35,27(18-31)11-6-7-12-27)19-32-21(2)30-24-17-29-14-10-23(24)26(32)34/h10,14,17,20,22,35H,3-9,11-13,15-16,18-19H2,1-2H3/t20-,28?/m1/s1
InChIKeyABWYQQKHDMILJE-HFLPEKOISA-N
MW480.65 g/mol
LogP4.23
Rot. Bonds5

About 3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-one

3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-one (PubChem CID 139375645) has the molecular formula C28H40N4O3 and a molecular weight of 480.65 g/mol. Its IUPAC name is 3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-one
PubChem CID139375645
Molecular FormulaC28H40N4O3
Molecular Weight480.65 g/mol
Exact Mass480.31
IUPAC Name3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2cnccc2c(=O)n1CC1(O)CCN(C(=O)[C@H](C)CC2CCCCC2)CC12CCCC2
InChIInChI=1S/C28H40N4O3/c1-20(16-22-8-4-3-5-9-22)25(33)31-15-13-28(35,27(18-31)11-6-7-12-27)19-32-21(2)30-24-17-29-14-10-23(24)26(32)34/h10,14,17,20,22,35H,3-9,11-13,15-16,18-19H2,1-2H3/t20-,28?/m1/s1
InChIKeyABWYQQKHDMILJE-HFLPEKOISA-N
XLogP4.23
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.65
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

US11807646, Example 157
CID 139375407
US11807646, Example 20
CID 139375562
US11807646, Example 19
CID 139375655
US11807646, Example 103
CID 139375783
US11807646, Example 137
CID 146627543
US11807646, Example 136
CID 146627527
US11807646, Example 244
CID 155682840
US10508098, Example I-13
CID 122445146
US11046681, Example 121
CID 132211751
US11046681, Example 187
CID 132211804
US11046681, Example 184
CID 138609581
7-[2-(dimethylamino)ethyl]-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one
CID 177379902

Frequently Asked Questions

What is the IUPAC name of 3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-one (CID 139375645) is 3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-one is Cc1nc2cnccc2c(=O)n1CC1(O)CCN(C(=O)[C@H](C)CC2CCCCC2)CC12CCCC2.
What is the InChIKey of 3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-one?
The InChIKey is ABWYQQKHDMILJE-HFLPEKOISA-N. The full InChI is InChI=1S/C28H40N4O3/c1-20(16-22-8-4-3-5-9-22)25(33)31-15-13-28(35,27(18-31)11-6-7-12-27)19-32-21(2)30-24-17-29-14-10-23(24)26(32)34/h10,14,17,20,22,35H,3-9,11-13,15-16,18-19H2,1-2H3/t20-,28?/m1/s1.
What are the key properties of 3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-one?
3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-one has a molecular weight of 480.65 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 139375645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).