8-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidine

C25H35N3O5 — CID 160854784

IUPAC8-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidine
SMILESCOC[C@H](C)Cc1ncc2c(OC3CCOCC3)ncc(C3CCC4(CC3)OCCO4)c2n1
InChIInChI=1S/C25H35N3O5/c1-17(16-29-2)13-22-26-15-21-23(28-22)20(14-27-24(21)33-19-5-9-30-10-6-19)18-3-7-25(8-4-18)31-11-12-32-25/h14-15,17-19H,3-13,16H2,1-2H3/t17-/m1/s1
InChIKeySJSLSOMQWSEDFJ-QGZVFWFLSA-N
MW457.57 g/mol
LogP3.81
Rot. Bonds7

About 8-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidine

8-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidine (PubChem CID 160854784) has the molecular formula C25H35N3O5 and a molecular weight of 457.57 g/mol. Its IUPAC name is 8-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name8-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidine
PubChem CID160854784
Molecular FormulaC25H35N3O5
Molecular Weight457.57 g/mol
Exact Mass457.26
IUPAC Name8-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidine
SMILESCOC[C@H](C)Cc1ncc2c(OC3CCOCC3)ncc(C3CCC4(CC3)OCCO4)c2n1
InChIInChI=1S/C25H35N3O5/c1-17(16-29-2)13-22-26-15-21-23(28-22)20(14-27-24(21)33-19-5-9-30-10-6-19)18-3-7-25(8-4-18)31-11-12-32-25/h14-15,17-19H,3-13,16H2,1-2H3/t17-/m1/s1
InChIKeySJSLSOMQWSEDFJ-QGZVFWFLSA-N
XLogP3.81
TPSA84.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidine?
The IUPAC name of 8-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidine (CID 160854784) is 8-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 8-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidine?
The canonical SMILES for 8-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidine is COC[C@H](C)Cc1ncc2c(OC3CCOCC3)ncc(C3CCC4(CC3)OCCO4)c2n1.
What is the InChIKey of 8-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidine?
The InChIKey is SJSLSOMQWSEDFJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H35N3O5/c1-17(16-29-2)13-22-26-15-21-23(28-22)20(14-27-24(21)33-19-5-9-30-10-6-19)18-3-7-25(8-4-18)31-11-12-32-25/h14-15,17-19H,3-13,16H2,1-2H3/t17-/m1/s1.
What are the key properties of 8-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidine?
8-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidine has a molecular weight of 457.57 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-3-methoxy-2-methylpropyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 160854784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).