cyclopropyl-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

C22H22FN5O2 — CID 146469035

IUPACcyclopropyl-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)C1CC1)C2
InChIInChI=1S/C22H22FN5O2/c1-14-20(28(26-25-14)18-7-5-17(23)6-8-18)13-30-21-9-4-16-12-27(11-10-19(16)24-21)22(29)15-2-3-15/h4-9,15H,2-3,10-13H2,1H3
InChIKeyOZVXGPJLSRNTCH-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.98
Rot. Bonds5

About cyclopropyl-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

cyclopropyl-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 146469035) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is cyclopropyl-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
PubChem CID146469035
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC Namecyclopropyl-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)C1CC1)C2
InChIInChI=1S/C22H22FN5O2/c1-14-20(28(26-25-14)18-7-5-17(23)6-8-18)13-30-21-9-4-16-12-27(11-10-19(16)24-21)22(29)15-2-3-15/h4-9,15H,2-3,10-13H2,1H3
InChIKeyOZVXGPJLSRNTCH-UHFFFAOYSA-N
XLogP2.98
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The IUPAC name of cyclopropyl-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 146469035) is cyclopropyl-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The canonical SMILES for cyclopropyl-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is Cc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)C1CC1)C2.
What is the InChIKey of cyclopropyl-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The InChIKey is OZVXGPJLSRNTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-14-20(28(26-25-14)18-7-5-17(23)6-8-18)13-30-21-9-4-16-12-27(11-10-19(16)24-21)22(29)15-2-3-15/h4-9,15H,2-3,10-13H2,1H3.
What are the key properties of cyclopropyl-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
cyclopropyl-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 407.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 146469035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).