4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-7-(6-methoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine

C23H20FN5O — CID 155211318

IUPAC4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-7-(6-methoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine
SMILESCOc1ccc2c(-c3ncc4c(N5C[C@H]6NCC[C@H]65)ncnc4c3F)cccc2c1
InChIInChI=1S/C23H20FN5O/c1-30-14-5-6-15-13(9-14)3-2-4-16(15)21-20(24)22-17(10-26-21)23(28-12-27-22)29-11-18-19(29)7-8-25-18/h2-6,9-10,12,18-19,25H,7-8,11H2,1H3/t18-,19-/m1/s1
InChIKeyPNNFPYZPMVMIDJ-RTBURBONSA-N
MW401.45 g/mol
LogP3.54
Rot. Bonds3

About 4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-7-(6-methoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine

4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-7-(6-methoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine (PubChem CID 155211318) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is 4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-7-(6-methoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-7-(6-methoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine
PubChem CID155211318
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC Name4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-7-(6-methoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine
SMILESCOc1ccc2c(-c3ncc4c(N5C[C@H]6NCC[C@H]65)ncnc4c3F)cccc2c1
InChIInChI=1S/C23H20FN5O/c1-30-14-5-6-15-13(9-14)3-2-4-16(15)21-20(24)22-17(10-26-21)23(28-12-27-22)29-11-18-19(29)7-8-25-18/h2-6,9-10,12,18-19,25H,7-8,11H2,1H3/t18-,19-/m1/s1
InChIKeyPNNFPYZPMVMIDJ-RTBURBONSA-N
XLogP3.54
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-7-(6-methoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-7-(6-methoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-7-(6-methoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine (CID 155211318) is 4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-7-(6-methoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-7-(6-methoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-7-(6-methoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine is COc1ccc2c(-c3ncc4c(N5C[C@H]6NCC[C@H]65)ncnc4c3F)cccc2c1.
What is the InChIKey of 4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-7-(6-methoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine?
The InChIKey is PNNFPYZPMVMIDJ-RTBURBONSA-N. The full InChI is InChI=1S/C23H20FN5O/c1-30-14-5-6-15-13(9-14)3-2-4-16(15)21-20(24)22-17(10-26-21)23(28-12-27-22)29-11-18-19(29)7-8-25-18/h2-6,9-10,12,18-19,25H,7-8,11H2,1H3/t18-,19-/m1/s1.
What are the key properties of 4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-7-(6-methoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine?
4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-7-(6-methoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine has a molecular weight of 401.45 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,5R)-2,6-diazabicyclo[3.2.0]heptan-6-yl]-8-fluoro-7-(6-methoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 155211318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).