7-fluoro-2-methoxy-8-[2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-1,5-naphthyridine

C26H28FN5O — CID 177226876

IUPAC7-fluoro-2-methoxy-8-[2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-1,5-naphthyridine
SMILESCOc1ccc2ncc(F)c(CCN3CCC(c4cc(-c5ccc(C)cc5)n[nH]4)CC3)c2n1
InChIInChI=1S/C26H28FN5O/c1-17-3-5-18(6-4-17)23-15-24(31-30-23)19-9-12-32(13-10-19)14-11-20-21(27)16-28-22-7-8-25(33-2)29-26(20)22/h3-8,15-16,19H,9-14H2,1-2H3,(H,30,31)
InChIKeyKJRNMJPBUCPXMH-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.90
Rot. Bonds6

About 7-fluoro-2-methoxy-8-[2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-1,5-naphthyridine

7-fluoro-2-methoxy-8-[2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-1,5-naphthyridine (PubChem CID 177226876) has the molecular formula C26H28FN5O and a molecular weight of 445.54 g/mol. Its IUPAC name is 7-fluoro-2-methoxy-8-[2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-1,5-naphthyridine.

Molecular Properties

Compound Name7-fluoro-2-methoxy-8-[2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-1,5-naphthyridine
PubChem CID177226876
Molecular FormulaC26H28FN5O
Molecular Weight445.54 g/mol
Exact Mass445.23
IUPAC Name7-fluoro-2-methoxy-8-[2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-1,5-naphthyridine
SMILESCOc1ccc2ncc(F)c(CCN3CCC(c4cc(-c5ccc(C)cc5)n[nH]4)CC3)c2n1
InChIInChI=1S/C26H28FN5O/c1-17-3-5-18(6-4-17)23-15-24(31-30-23)19-9-12-32(13-10-19)14-11-20-21(27)16-28-22-7-8-25(33-2)29-26(20)22/h3-8,15-16,19H,9-14H2,1-2H3,(H,30,31)
InChIKeyKJRNMJPBUCPXMH-UHFFFAOYSA-N
XLogP4.90
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methoxy-8-[2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-1,5-naphthyridine?
The IUPAC name of 7-fluoro-2-methoxy-8-[2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-1,5-naphthyridine (CID 177226876) is 7-fluoro-2-methoxy-8-[2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-1,5-naphthyridine.
What is the SMILES notation for 7-fluoro-2-methoxy-8-[2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-1,5-naphthyridine?
The canonical SMILES for 7-fluoro-2-methoxy-8-[2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-1,5-naphthyridine is COc1ccc2ncc(F)c(CCN3CCC(c4cc(-c5ccc(C)cc5)n[nH]4)CC3)c2n1.
What is the InChIKey of 7-fluoro-2-methoxy-8-[2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-1,5-naphthyridine?
The InChIKey is KJRNMJPBUCPXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O/c1-17-3-5-18(6-4-17)23-15-24(31-30-23)19-9-12-32(13-10-19)14-11-20-21(27)16-28-22-7-8-25(33-2)29-26(20)22/h3-8,15-16,19H,9-14H2,1-2H3,(H,30,31).
What are the key properties of 7-fluoro-2-methoxy-8-[2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-1,5-naphthyridine?
7-fluoro-2-methoxy-8-[2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-1,5-naphthyridine has a molecular weight of 445.54 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methoxy-8-[2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-1,5-naphthyridine is sourced from PubChem (CID 177226876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).