1-[[4-amino-2-(ethoxymethyl)-7-(4-fluorophenyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]methyl]cyclopentan-1-ol

C24H26FN5O2 — CID 58970693

IUPAC1-[[4-amino-2-(ethoxymethyl)-7-(4-fluorophenyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]methyl]cyclopentan-1-ol
SMILESCCOCc1nc2c(N)nc3cc(-c4ccc(F)cc4)cnc3c2n1CC1(O)CCCC1
InChIInChI=1S/C24H26FN5O2/c1-2-32-13-19-29-21-22(30(19)14-24(31)9-3-4-10-24)20-18(28-23(21)26)11-16(12-27-20)15-5-7-17(25)8-6-15/h5-8,11-12,31H,2-4,9-10,13-14H2,1H3,(H2,26,28)
InChIKeyPBGYAZLHVMJHEV-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.21
Rot. Bonds6

About 1-[[4-amino-2-(ethoxymethyl)-7-(4-fluorophenyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]methyl]cyclopentan-1-ol

1-[[4-amino-2-(ethoxymethyl)-7-(4-fluorophenyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]methyl]cyclopentan-1-ol (PubChem CID 58970693) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 1-[[4-amino-2-(ethoxymethyl)-7-(4-fluorophenyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[4-amino-2-(ethoxymethyl)-7-(4-fluorophenyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]methyl]cyclopentan-1-ol
PubChem CID58970693
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name1-[[4-amino-2-(ethoxymethyl)-7-(4-fluorophenyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]methyl]cyclopentan-1-ol
SMILESCCOCc1nc2c(N)nc3cc(-c4ccc(F)cc4)cnc3c2n1CC1(O)CCCC1
InChIInChI=1S/C24H26FN5O2/c1-2-32-13-19-29-21-22(30(19)14-24(31)9-3-4-10-24)20-18(28-23(21)26)11-16(12-27-20)15-5-7-17(25)8-6-15/h5-8,11-12,31H,2-4,9-10,13-14H2,1H3,(H2,26,28)
InChIKeyPBGYAZLHVMJHEV-UHFFFAOYSA-N
XLogP4.21
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-amino-2-(ethoxymethyl)-7-(4-fluorophenyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[4-amino-2-(ethoxymethyl)-7-(4-fluorophenyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]methyl]cyclopentan-1-ol (CID 58970693) is 1-[[4-amino-2-(ethoxymethyl)-7-(4-fluorophenyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[4-amino-2-(ethoxymethyl)-7-(4-fluorophenyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[4-amino-2-(ethoxymethyl)-7-(4-fluorophenyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]methyl]cyclopentan-1-ol is CCOCc1nc2c(N)nc3cc(-c4ccc(F)cc4)cnc3c2n1CC1(O)CCCC1.
What is the InChIKey of 1-[[4-amino-2-(ethoxymethyl)-7-(4-fluorophenyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]methyl]cyclopentan-1-ol?
The InChIKey is PBGYAZLHVMJHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-2-32-13-19-29-21-22(30(19)14-24(31)9-3-4-10-24)20-18(28-23(21)26)11-16(12-27-20)15-5-7-17(25)8-6-15/h5-8,11-12,31H,2-4,9-10,13-14H2,1H3,(H2,26,28).
What are the key properties of 1-[[4-amino-2-(ethoxymethyl)-7-(4-fluorophenyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]methyl]cyclopentan-1-ol?
1-[[4-amino-2-(ethoxymethyl)-7-(4-fluorophenyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]methyl]cyclopentan-1-ol has a molecular weight of 435.50 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-amino-2-(ethoxymethyl)-7-(4-fluorophenyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]methyl]cyclopentan-1-ol is sourced from PubChem (CID 58970693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).