2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(4-propan-2-ylpiperazin-1-yl)-1,5-naphthyridine

C24H24F2N6 — CID 146661723

IUPAC2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(4-propan-2-ylpiperazin-1-yl)-1,5-naphthyridine
SMILESCC(C)N1CCN(c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)c(F)c4)nc3c2)CC1
InChIInChI=1S/C24H24F2N6/c1-15(2)31-7-9-32(10-8-31)17-12-23-22(27-13-17)6-5-21(29-23)18-14-28-30-24(18)16-3-4-19(25)20(26)11-16/h3-6,11-15H,7-10H2,1-2H3,(H,28,30)
InChIKeyYYJDWBKNCKUAQK-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.50
Rot. Bonds4

About 2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(4-propan-2-ylpiperazin-1-yl)-1,5-naphthyridine

2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(4-propan-2-ylpiperazin-1-yl)-1,5-naphthyridine (PubChem CID 146661723) has the molecular formula C24H24F2N6 and a molecular weight of 434.49 g/mol. Its IUPAC name is 2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(4-propan-2-ylpiperazin-1-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(4-propan-2-ylpiperazin-1-yl)-1,5-naphthyridine
PubChem CID146661723
Molecular FormulaC24H24F2N6
Molecular Weight434.49 g/mol
Exact Mass434.20
IUPAC Name2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(4-propan-2-ylpiperazin-1-yl)-1,5-naphthyridine
SMILESCC(C)N1CCN(c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)c(F)c4)nc3c2)CC1
InChIInChI=1S/C24H24F2N6/c1-15(2)31-7-9-32(10-8-31)17-12-23-22(27-13-17)6-5-21(29-23)18-14-28-30-24(18)16-3-4-19(25)20(26)11-16/h3-6,11-15H,7-10H2,1-2H3,(H,28,30)
InChIKeyYYJDWBKNCKUAQK-UHFFFAOYSA-N
XLogP4.50
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-piperidin-1-yl-1,5-naphthyridine
CID 167367153
N-[2-[4-[6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethyl]propan-2-amine
CID 146661928
N-[1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]azetidin-3-yl]methanimine
CID 149452717
2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-1,5-naphthyridine
CID 146662005
6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine
CID 146661847
6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]quinolin-3-amine
CID 167367223
7-(2,3-dihydro-1H-imidazo[1,2-c]imidazol-5-yl)-2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
CID 167366674
7-(5,6-dihydro-4H-imidazo[1,2-c]triazol-3-yl)-2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
CID 167366692
2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)-1,5-naphthyridine
CID 167366510
7-[3-(methoxymethyl)piperazin-1-yl]-2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
CID 167367071
N-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide
CID 167366906
6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-1,5-naphthyridin-3-amine
CID 146662257

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(4-propan-2-ylpiperazin-1-yl)-1,5-naphthyridine?
The IUPAC name of 2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(4-propan-2-ylpiperazin-1-yl)-1,5-naphthyridine (CID 146661723) is 2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(4-propan-2-ylpiperazin-1-yl)-1,5-naphthyridine.
What is the SMILES notation for 2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(4-propan-2-ylpiperazin-1-yl)-1,5-naphthyridine?
The canonical SMILES for 2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(4-propan-2-ylpiperazin-1-yl)-1,5-naphthyridine is CC(C)N1CCN(c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)c(F)c4)nc3c2)CC1.
What is the InChIKey of 2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(4-propan-2-ylpiperazin-1-yl)-1,5-naphthyridine?
The InChIKey is YYJDWBKNCKUAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6/c1-15(2)31-7-9-32(10-8-31)17-12-23-22(27-13-17)6-5-21(29-23)18-14-28-30-24(18)16-3-4-19(25)20(26)11-16/h3-6,11-15H,7-10H2,1-2H3,(H,28,30).
What are the key properties of 2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(4-propan-2-ylpiperazin-1-yl)-1,5-naphthyridine?
2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(4-propan-2-ylpiperazin-1-yl)-1,5-naphthyridine has a molecular weight of 434.49 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(4-propan-2-ylpiperazin-1-yl)-1,5-naphthyridine is sourced from PubChem (CID 146661723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).