7-(8-chloronaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxypyrido[4,3-d]pyrimidine

C32H28ClFN4O2 — CID 164510772

IUPAC7-(8-chloronaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxypyrido[4,3-d]pyrimidine
SMILESFc1c(-c2cccc3cccc(Cl)c23)ncc2c(OCc3ccccc3)nc(OCC34CCCN3CCC4)nc12
InChIInChI=1S/C32H28ClFN4O2/c33-25-13-5-11-22-10-4-12-23(26(22)25)28-27(34)29-24(18-35-28)30(39-19-21-8-2-1-3-9-21)37-31(36-29)40-20-32-14-6-16-38(32)17-7-15-32/h1-5,8-13,18H,6-7,14-17,19-20H2
InChIKeyYRBIHRMSARMTAG-UHFFFAOYSA-N
MW555.05 g/mol
LogP7.22
Rot. Bonds7

About 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxypyrido[4,3-d]pyrimidine

7-(8-chloronaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxypyrido[4,3-d]pyrimidine (PubChem CID 164510772) has the molecular formula C32H28ClFN4O2 and a molecular weight of 555.05 g/mol. Its IUPAC name is 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxypyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name7-(8-chloronaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxypyrido[4,3-d]pyrimidine
PubChem CID164510772
Molecular FormulaC32H28ClFN4O2
Molecular Weight555.05 g/mol
Exact Mass554.19
IUPAC Name7-(8-chloronaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxypyrido[4,3-d]pyrimidine
SMILESFc1c(-c2cccc3cccc(Cl)c23)ncc2c(OCc3ccccc3)nc(OCC34CCCN3CCC4)nc12
InChIInChI=1S/C32H28ClFN4O2/c33-25-13-5-11-22-10-4-12-23(26(22)25)28-27(34)29-24(18-35-28)30(39-19-21-8-2-1-3-9-21)37-31(36-29)40-20-32-14-6-16-38(32)17-7-15-32/h1-5,8-13,18H,6-7,14-17,19-20H2
InChIKeyYRBIHRMSARMTAG-UHFFFAOYSA-N
XLogP7.22
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.05
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxypyrido[4,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxypyrido[4,3-d]pyrimidine?
The IUPAC name of 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxypyrido[4,3-d]pyrimidine (CID 164510772) is 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxypyrido[4,3-d]pyrimidine.
What is the SMILES notation for 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxypyrido[4,3-d]pyrimidine?
The canonical SMILES for 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxypyrido[4,3-d]pyrimidine is Fc1c(-c2cccc3cccc(Cl)c23)ncc2c(OCc3ccccc3)nc(OCC34CCCN3CCC4)nc12.
What is the InChIKey of 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxypyrido[4,3-d]pyrimidine?
The InChIKey is YRBIHRMSARMTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28ClFN4O2/c33-25-13-5-11-22-10-4-12-23(26(22)25)28-27(34)29-24(18-35-28)30(39-19-21-8-2-1-3-9-21)37-31(36-29)40-20-32-14-6-16-38(32)17-7-15-32/h1-5,8-13,18H,6-7,14-17,19-20H2.
What are the key properties of 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxypyrido[4,3-d]pyrimidine?
7-(8-chloronaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxypyrido[4,3-d]pyrimidine has a molecular weight of 555.05 g/mol, XLogP of 7.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxypyrido[4,3-d]pyrimidine is sourced from PubChem (CID 164510772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).