1-[1-[[4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanylmethyl]-5-(1-methylpyrazol-4-yl)-2H-pyridin-2-yl]-2-methylhydrazine

C25H26F2N8OS — CID 162544184

IUPAC1-[1-[[4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanylmethyl]-5-(1-methylpyrazol-4-yl)-2H-pyridin-2-yl]-2-methylhydrazine
SMILESCNNC1C=CC(c2cnn(C)c2)=CN1CSc1ccc2ncc(-c3cnn(C)c3)c(OC(F)F)c2c1
InChIInChI=1S/C25H26F2N8OS/c1-28-32-23-7-4-16(17-9-30-33(2)12-17)14-35(23)15-37-19-5-6-22-20(8-19)24(36-25(26)27)21(11-29-22)18-10-31-34(3)13-18/h4-14,23,25,28,32H,15H2,1-3H3
InChIKeyIIPDAQVLGUJFCX-UHFFFAOYSA-N
MW524.60 g/mol
LogP3.98
Rot. Bonds9

About 1-[1-[[4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanylmethyl]-5-(1-methylpyrazol-4-yl)-2H-pyridin-2-yl]-2-methylhydrazine

1-[1-[[4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanylmethyl]-5-(1-methylpyrazol-4-yl)-2H-pyridin-2-yl]-2-methylhydrazine (PubChem CID 162544184) has the molecular formula C25H26F2N8OS and a molecular weight of 524.60 g/mol. Its IUPAC name is 1-[1-[[4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanylmethyl]-5-(1-methylpyrazol-4-yl)-2H-pyridin-2-yl]-2-methylhydrazine.

Molecular Properties

Compound Name1-[1-[[4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanylmethyl]-5-(1-methylpyrazol-4-yl)-2H-pyridin-2-yl]-2-methylhydrazine
PubChem CID162544184
Molecular FormulaC25H26F2N8OS
Molecular Weight524.60 g/mol
Exact Mass524.19
IUPAC Name1-[1-[[4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanylmethyl]-5-(1-methylpyrazol-4-yl)-2H-pyridin-2-yl]-2-methylhydrazine
SMILESCNNC1C=CC(c2cnn(C)c2)=CN1CSc1ccc2ncc(-c3cnn(C)c3)c(OC(F)F)c2c1
InChIInChI=1S/C25H26F2N8OS/c1-28-32-23-7-4-16(17-9-30-33(2)12-17)14-35(23)15-37-19-5-6-22-20(8-19)24(36-25(26)27)21(11-29-22)18-10-31-34(3)13-18/h4-14,23,25,28,32H,15H2,1-3H3
InChIKeyIIPDAQVLGUJFCX-UHFFFAOYSA-N
XLogP3.98
TPSA85.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.60
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(1-methylpyrazol-4-yl)-1-[[3-(1-methylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)quinolin-6-yl]sulfanylmethyl]pyridin-2-imine
CID 162544182
4-fluoro-3-(1-methylpyrazol-4-yl)-6-methylsulfanylquinoline
CID 118951932
[3-(2-hydroxyethylamino)-4-methoxyquinolin-6-yl] 3-fluoro-2-imino-5-(1-methylpyrazol-4-yl)pyridine-1-carboximidothioate
CID 144742770
8-methoxy-7-(1-methylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 90289634
14-[(1R)-2,2-difluoro-1-hydroxyethyl]-5-(1-methylpyrazol-4-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one
CID 67411526
4-(difluoromethoxy)-5-methyl-7-(1-methylpyrazol-4-yl)-17-[2-(1-methylpyrazol-4-yl)ethynyl]-10-oxa-1,13-diazatetracyclo[10.7.0.03,8.014,19]nonadeca-3,5,7,12,14(19),15,17-heptaene
CID 178170259
7-[[2-(difluoromethyl)-3-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 123138405
4-chloro-3-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline
CID 137395703
7-(difluoromethoxy)-1-hexan-2-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 162575743
3-(1-methylpyrazol-4-yl)-4-phenylmethoxybenzenethiol
CID 167225778
N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine
CID 61033157
4-(2-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole
CID 121383038

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanylmethyl]-5-(1-methylpyrazol-4-yl)-2H-pyridin-2-yl]-2-methylhydrazine?
The IUPAC name of 1-[1-[[4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanylmethyl]-5-(1-methylpyrazol-4-yl)-2H-pyridin-2-yl]-2-methylhydrazine (CID 162544184) is 1-[1-[[4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanylmethyl]-5-(1-methylpyrazol-4-yl)-2H-pyridin-2-yl]-2-methylhydrazine.
What is the SMILES notation for 1-[1-[[4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanylmethyl]-5-(1-methylpyrazol-4-yl)-2H-pyridin-2-yl]-2-methylhydrazine?
The canonical SMILES for 1-[1-[[4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanylmethyl]-5-(1-methylpyrazol-4-yl)-2H-pyridin-2-yl]-2-methylhydrazine is CNNC1C=CC(c2cnn(C)c2)=CN1CSc1ccc2ncc(-c3cnn(C)c3)c(OC(F)F)c2c1.
What is the InChIKey of 1-[1-[[4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanylmethyl]-5-(1-methylpyrazol-4-yl)-2H-pyridin-2-yl]-2-methylhydrazine?
The InChIKey is IIPDAQVLGUJFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N8OS/c1-28-32-23-7-4-16(17-9-30-33(2)12-17)14-35(23)15-37-19-5-6-22-20(8-19)24(36-25(26)27)21(11-29-22)18-10-31-34(3)13-18/h4-14,23,25,28,32H,15H2,1-3H3.
What are the key properties of 1-[1-[[4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanylmethyl]-5-(1-methylpyrazol-4-yl)-2H-pyridin-2-yl]-2-methylhydrazine?
1-[1-[[4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanylmethyl]-5-(1-methylpyrazol-4-yl)-2H-pyridin-2-yl]-2-methylhydrazine has a molecular weight of 524.60 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-(difluoromethoxy)-3-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanylmethyl]-5-(1-methylpyrazol-4-yl)-2H-pyridin-2-yl]-2-methylhydrazine is sourced from PubChem (CID 162544184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).