(2-ethoxy-3-pyridinyl)-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

C21H27N5O2 — CID 92593260

IUPAC(2-ethoxy-3-pyridinyl)-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCCOc1ncccc1C(=O)N1CCc2nc([C@@H]3CCCCN3C)ncc2C1
InChIInChI=1S/C21H27N5O2/c1-3-28-20-16(7-6-10-22-20)21(27)26-12-9-17-15(14-26)13-23-19(24-17)18-8-4-5-11-25(18)2/h6-7,10,13,18H,3-5,8-9,11-12,14H2,1-2H3/t18-/m0/s1
InChIKeyFWCGOUJBIDMCIQ-SFHVURJKSA-N
MW381.48 g/mol
LogP2.63
Rot. Bonds4

About (2-ethoxy-3-pyridinyl)-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

(2-ethoxy-3-pyridinyl)-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 92593260) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2-ethoxy-3-pyridinyl)-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(2-ethoxy-3-pyridinyl)-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID92593260
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name(2-ethoxy-3-pyridinyl)-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCCOc1ncccc1C(=O)N1CCc2nc([C@@H]3CCCCN3C)ncc2C1
InChIInChI=1S/C21H27N5O2/c1-3-28-20-16(7-6-10-22-20)21(27)26-12-9-17-15(14-26)13-23-19(24-17)18-8-4-5-11-25(18)2/h6-7,10,13,18H,3-5,8-9,11-12,14H2,1-2H3/t18-/m0/s1
InChIKeyFWCGOUJBIDMCIQ-SFHVURJKSA-N
XLogP2.63
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-ethoxy-3-pyridinyl)-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone with MolForge

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Related Compounds

2-(4-ethoxyphenyl)-1-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92593714
[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone
CID 92608142
(2-ethoxyphenyl)-[(2S)-2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 92587564
[(1S)-cyclohex-3-en-1-yl]-[2-[(2S)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 124820498
2-(4-methylphenyl)-1-[2-(1-methylpyrrolidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110241073
2-(4-methylphenyl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92557773
(4R)-1-cyclopentyl-4-[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one
CID 95856716
1-[2-[(2R)-1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92593815
1-[2-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110240512
(2-ethoxy-3-pyridinyl)-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone
CID 146043149
(2R)-2-(4-methylphenyl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92556623
(2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone
CID 121146196

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-3-pyridinyl)-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (2-ethoxy-3-pyridinyl)-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 92593260) is (2-ethoxy-3-pyridinyl)-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (2-ethoxy-3-pyridinyl)-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (2-ethoxy-3-pyridinyl)-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is CCOc1ncccc1C(=O)N1CCc2nc([C@@H]3CCCCN3C)ncc2C1.
What is the InChIKey of (2-ethoxy-3-pyridinyl)-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is FWCGOUJBIDMCIQ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-3-28-20-16(7-6-10-22-20)21(27)26-12-9-17-15(14-26)13-23-19(24-17)18-8-4-5-11-25(18)2/h6-7,10,13,18H,3-5,8-9,11-12,14H2,1-2H3/t18-/m0/s1.
What are the key properties of (2-ethoxy-3-pyridinyl)-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(2-ethoxy-3-pyridinyl)-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 381.48 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-3-pyridinyl)-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 92593260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).