1-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

C25H42N6O — CID 92623544

IUPAC1-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
SMILESCNc1nc([C@@H]2CCCCN2C(=O)CC2CC(C)(C)NC(C)(C)C2)nc2c1CCN(C)C2
InChIInChI=1S/C25H42N6O/c1-24(2)14-17(15-25(3,4)29-24)13-21(32)31-11-8-7-9-20(31)23-27-19-16-30(6)12-10-18(19)22(26-5)28-23/h17,20,29H,7-16H2,1-6H3,(H,26,27,28)/t20-/m0/s1
InChIKeyVIEGKRPHYOQAMZ-FQEVSTJZSA-N
MW442.65 g/mol
LogP3.51
Rot. Bonds4

About 1-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

1-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone (PubChem CID 92623544) has the molecular formula C25H42N6O and a molecular weight of 442.65 g/mol. Its IUPAC name is 1-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
PubChem CID92623544
Molecular FormulaC25H42N6O
Molecular Weight442.65 g/mol
Exact Mass442.34
IUPAC Name1-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
SMILESCNc1nc([C@@H]2CCCCN2C(=O)CC2CC(C)(C)NC(C)(C)C2)nc2c1CCN(C)C2
InChIInChI=1S/C25H42N6O/c1-24(2)14-17(15-25(3,4)29-24)13-21(32)31-11-8-7-9-20(31)23-27-19-16-30(6)12-10-18(19)22(26-5)28-23/h17,20,29H,7-16H2,1-6H3,(H,26,27,28)/t20-/m0/s1
InChIKeyVIEGKRPHYOQAMZ-FQEVSTJZSA-N
XLogP3.51
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.65
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone with MolForge

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Related Compounds

3-(4-methoxyphenyl)-1-[(2R)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 92622925
2-cyclopentyl-1-[4-(methylamino)-2-[(2S)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 92622874
N-[1-[2-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]cyclohexyl]acetamide
CID 110262407
1-[(2S)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 92622964
[1-(2-fluorophenyl)cyclopentyl]-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92622950
2-(4-methoxyphenoxy)-2-methyl-1-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 92622976
2-(4-fluorophenyl)-1-[(2R)-2-[4-(methylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95836494
1-[2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 110268715
1-[(2R)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 92623055
3-(4-methoxyphenyl)-1-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110262519
1-[4-(methylamino)-2-[(2R)-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 92623535
1-[(2S)-2-[6-(2-hydroxyethyl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 124962527

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The IUPAC name of 1-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone (CID 92623544) is 1-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone is CNc1nc([C@@H]2CCCCN2C(=O)CC2CC(C)(C)NC(C)(C)C2)nc2c1CCN(C)C2.
What is the InChIKey of 1-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The InChIKey is VIEGKRPHYOQAMZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H42N6O/c1-24(2)14-17(15-25(3,4)29-24)13-21(32)31-11-8-7-9-20(31)23-27-19-16-30(6)12-10-18(19)22(26-5)28-23/h17,20,29H,7-16H2,1-6H3,(H,26,27,28)/t20-/m0/s1.
What are the key properties of 1-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
1-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone has a molecular weight of 442.65 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone is sourced from PubChem (CID 92623544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).