8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypyrido[2,3-d]pyrimidin-7-one

C23H28N6O4 — CID 56834577

IUPAC8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ncc2ccc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1
InChIInChI=1S/C23H28N6O4/c1-31-23-26-13-16-2-3-21(30)29(22(16)27-23)9-8-28-6-4-17(5-7-28)24-14-18-12-19-20(15-25-18)33-11-10-32-19/h2-3,12-13,15,17,24H,4-11,14H2,1H3
InChIKeyLPHSTAIXRBFEFQ-UHFFFAOYSA-N
MW452.52 g/mol
LogP1.22
Rot. Bonds7

About 8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypyrido[2,3-d]pyrimidin-7-one

8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypyrido[2,3-d]pyrimidin-7-one (PubChem CID 56834577) has the molecular formula C23H28N6O4 and a molecular weight of 452.52 g/mol. Its IUPAC name is 8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypyrido[2,3-d]pyrimidin-7-one
PubChem CID56834577
Molecular FormulaC23H28N6O4
Molecular Weight452.52 g/mol
Exact Mass452.22
IUPAC Name8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ncc2ccc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1
InChIInChI=1S/C23H28N6O4/c1-31-23-26-13-16-2-3-21(30)29(22(16)27-23)9-8-28-6-4-17(5-7-28)24-14-18-12-19-20(15-25-18)33-11-10-32-19/h2-3,12-13,15,17,24H,4-11,14H2,1H3
InChIKeyLPHSTAIXRBFEFQ-UHFFFAOYSA-N
XLogP1.22
TPSA103.63 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypyrido[2,3-d]pyrimidin-7-one (CID 56834577) is 8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypyrido[2,3-d]pyrimidin-7-one is COc1ncc2ccc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1.
What is the InChIKey of 8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LPHSTAIXRBFEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4/c1-31-23-26-13-16-2-3-21(30)29(22(16)27-23)9-8-28-6-4-17(5-7-28)24-14-18-12-19-20(15-25-18)33-11-10-32-19/h2-3,12-13,15,17,24H,4-11,14H2,1H3.
What are the key properties of 8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypyrido[2,3-d]pyrimidin-7-one?
8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypyrido[2,3-d]pyrimidin-7-one has a molecular weight of 452.52 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 56834577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).