4-[3,7,7-trimethyl-2-(2-prop-2-enyl-2,7-diazaspiro[3.4]octan-7-yl)-5,8-dihydropyrano[4,3-b]pyridin-4-yl]naphthalen-2-ol

C30H35N3O2 — CID 167037135

IUPAC4-[3,7,7-trimethyl-2-(2-prop-2-enyl-2,7-diazaspiro[3.4]octan-7-yl)-5,8-dihydropyrano[4,3-b]pyridin-4-yl]naphthalen-2-ol
SMILESC=CCN1CC2(CCN(c3nc4c(c(-c5cc(O)cc6ccccc56)c3C)COC(C)(C)C4)C2)C1
InChIInChI=1S/C30H35N3O2/c1-5-11-32-17-30(18-32)10-12-33(19-30)28-20(2)27(25-16-35-29(3,4)15-26(25)31-28)24-14-22(34)13-21-8-6-7-9-23(21)24/h5-9,13-14,34H,1,10-12,15-19H2,2-4H3
InChIKeyYLUMLDIPVVKYFZ-UHFFFAOYSA-N
MW469.63 g/mol
LogP5.47
Rot. Bonds4

About 4-[3,7,7-trimethyl-2-(2-prop-2-enyl-2,7-diazaspiro[3.4]octan-7-yl)-5,8-dihydropyrano[4,3-b]pyridin-4-yl]naphthalen-2-ol

4-[3,7,7-trimethyl-2-(2-prop-2-enyl-2,7-diazaspiro[3.4]octan-7-yl)-5,8-dihydropyrano[4,3-b]pyridin-4-yl]naphthalen-2-ol (PubChem CID 167037135) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 4-[3,7,7-trimethyl-2-(2-prop-2-enyl-2,7-diazaspiro[3.4]octan-7-yl)-5,8-dihydropyrano[4,3-b]pyridin-4-yl]naphthalen-2-ol.

Molecular Properties

Compound Name4-[3,7,7-trimethyl-2-(2-prop-2-enyl-2,7-diazaspiro[3.4]octan-7-yl)-5,8-dihydropyrano[4,3-b]pyridin-4-yl]naphthalen-2-ol
PubChem CID167037135
Molecular FormulaC30H35N3O2
Molecular Weight469.63 g/mol
Exact Mass469.27
IUPAC Name4-[3,7,7-trimethyl-2-(2-prop-2-enyl-2,7-diazaspiro[3.4]octan-7-yl)-5,8-dihydropyrano[4,3-b]pyridin-4-yl]naphthalen-2-ol
SMILESC=CCN1CC2(CCN(c3nc4c(c(-c5cc(O)cc6ccccc56)c3C)COC(C)(C)C4)C2)C1
InChIInChI=1S/C30H35N3O2/c1-5-11-32-17-30(18-32)10-12-33(19-30)28-20(2)27(25-16-35-29(3,4)15-26(25)31-28)24-14-22(34)13-21-8-6-7-9-23(21)24/h5-9,13-14,34H,1,10-12,15-19H2,2-4H3
InChIKeyYLUMLDIPVVKYFZ-UHFFFAOYSA-N
XLogP5.47
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[3,7,7-trimethyl-2-(2-prop-2-enyl-2,7-diazaspiro[3.4]octan-7-yl)-5,8-dihydropyrano[4,3-b]pyridin-4-yl]naphthalen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3,7,7-trimethyl-2-(2-prop-2-enyl-2,7-diazaspiro[3.4]octan-7-yl)-5,8-dihydropyrano[4,3-b]pyridin-4-yl]naphthalen-2-ol?
The IUPAC name of 4-[3,7,7-trimethyl-2-(2-prop-2-enyl-2,7-diazaspiro[3.4]octan-7-yl)-5,8-dihydropyrano[4,3-b]pyridin-4-yl]naphthalen-2-ol (CID 167037135) is 4-[3,7,7-trimethyl-2-(2-prop-2-enyl-2,7-diazaspiro[3.4]octan-7-yl)-5,8-dihydropyrano[4,3-b]pyridin-4-yl]naphthalen-2-ol.
What is the SMILES notation for 4-[3,7,7-trimethyl-2-(2-prop-2-enyl-2,7-diazaspiro[3.4]octan-7-yl)-5,8-dihydropyrano[4,3-b]pyridin-4-yl]naphthalen-2-ol?
The canonical SMILES for 4-[3,7,7-trimethyl-2-(2-prop-2-enyl-2,7-diazaspiro[3.4]octan-7-yl)-5,8-dihydropyrano[4,3-b]pyridin-4-yl]naphthalen-2-ol is C=CCN1CC2(CCN(c3nc4c(c(-c5cc(O)cc6ccccc56)c3C)COC(C)(C)C4)C2)C1.
What is the InChIKey of 4-[3,7,7-trimethyl-2-(2-prop-2-enyl-2,7-diazaspiro[3.4]octan-7-yl)-5,8-dihydropyrano[4,3-b]pyridin-4-yl]naphthalen-2-ol?
The InChIKey is YLUMLDIPVVKYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c1-5-11-32-17-30(18-32)10-12-33(19-30)28-20(2)27(25-16-35-29(3,4)15-26(25)31-28)24-14-22(34)13-21-8-6-7-9-23(21)24/h5-9,13-14,34H,1,10-12,15-19H2,2-4H3.
What are the key properties of 4-[3,7,7-trimethyl-2-(2-prop-2-enyl-2,7-diazaspiro[3.4]octan-7-yl)-5,8-dihydropyrano[4,3-b]pyridin-4-yl]naphthalen-2-ol?
4-[3,7,7-trimethyl-2-(2-prop-2-enyl-2,7-diazaspiro[3.4]octan-7-yl)-5,8-dihydropyrano[4,3-b]pyridin-4-yl]naphthalen-2-ol has a molecular weight of 469.63 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,7,7-trimethyl-2-(2-prop-2-enyl-2,7-diazaspiro[3.4]octan-7-yl)-5,8-dihydropyrano[4,3-b]pyridin-4-yl]naphthalen-2-ol is sourced from PubChem (CID 167037135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).