2-methoxy-1-[4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone

C27H33N7O3 — CID 155546042

IUPAC2-methoxy-1-[4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(Nc2cc(-c3ncnc4c3CN(c3cnc(OC)c(C)c3)CC4)ccn2)CC1
InChIInChI=1S/C27H33N7O3/c1-18-12-21(14-29-27(18)37-3)34-11-7-23-22(15-34)26(31-17-30-23)19-4-8-28-24(13-19)32-20-5-9-33(10-6-20)25(35)16-36-2/h4,8,12-14,17,20H,5-7,9-11,15-16H2,1-3H3,(H,28,32)
InChIKeyRHYXQDJPSRURDD-UHFFFAOYSA-N
MW503.61 g/mol
LogP2.86
Rot. Bonds7

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

2-methoxy-1-[4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone (PubChem CID 155546042) has the molecular formula C27H33N7O3 and a molecular weight of 503.61 g/mol. Its IUPAC name is 2-methoxy-1-[4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone
PubChem CID155546042
Molecular FormulaC27H33N7O3
Molecular Weight503.61 g/mol
Exact Mass503.26
IUPAC Name2-methoxy-1-[4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(Nc2cc(-c3ncnc4c3CN(c3cnc(OC)c(C)c3)CC4)ccn2)CC1
InChIInChI=1S/C27H33N7O3/c1-18-12-21(14-29-27(18)37-3)34-11-7-23-22(15-34)26(31-17-30-23)19-4-8-28-24(13-19)32-20-5-9-33(10-6-20)25(35)16-36-2/h4,8,12-14,17,20H,5-7,9-11,15-16H2,1-3H3,(H,28,32)
InChIKeyRHYXQDJPSRURDD-UHFFFAOYSA-N
XLogP2.86
TPSA105.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.61
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone (CID 155546042) is 2-methoxy-1-[4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone is COCC(=O)N1CCC(Nc2cc(-c3ncnc4c3CN(c3cnc(OC)c(C)c3)CC4)ccn2)CC1.
What is the InChIKey of 2-methoxy-1-[4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone?
The InChIKey is RHYXQDJPSRURDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O3/c1-18-12-21(14-29-27(18)37-3)34-11-7-23-22(15-34)26(31-17-30-23)19-4-8-28-24(13-19)32-20-5-9-33(10-6-20)25(35)16-36-2/h4,8,12-14,17,20H,5-7,9-11,15-16H2,1-3H3,(H,28,32).
What are the key properties of 2-methoxy-1-[4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone?
2-methoxy-1-[4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone has a molecular weight of 503.61 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 155546042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).