6-(1-methylpyrazol-3-yl)-3-[2-[(5-methylsulfonyl-3-pyridinyl)amino]ethoxy]-5-quinolin-6-ylpyrazin-2-amine

C25H24N8O3S — CID 154658244

IUPAC6-(1-methylpyrazol-3-yl)-3-[2-[(5-methylsulfonyl-3-pyridinyl)amino]ethoxy]-5-quinolin-6-ylpyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(OCCNc3cncc(S(C)(=O)=O)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C25H24N8O3S/c1-33-10-7-21(32-33)23-22(17-5-6-20-16(12-17)4-3-8-29-20)31-25(24(26)30-23)36-11-9-28-18-13-19(15-27-14-18)37(2,34)35/h3-8,10,12-15,28H,9,11H2,1-2H3,(H2,26,30)
InChIKeyYFIKSUPTXWFFRV-UHFFFAOYSA-N
MW516.59 g/mol
LogP2.96
Rot. Bonds8

About 6-(1-methylpyrazol-3-yl)-3-[2-[(5-methylsulfonyl-3-pyridinyl)amino]ethoxy]-5-quinolin-6-ylpyrazin-2-amine

6-(1-methylpyrazol-3-yl)-3-[2-[(5-methylsulfonyl-3-pyridinyl)amino]ethoxy]-5-quinolin-6-ylpyrazin-2-amine (PubChem CID 154658244) has the molecular formula C25H24N8O3S and a molecular weight of 516.59 g/mol. Its IUPAC name is 6-(1-methylpyrazol-3-yl)-3-[2-[(5-methylsulfonyl-3-pyridinyl)amino]ethoxy]-5-quinolin-6-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-(1-methylpyrazol-3-yl)-3-[2-[(5-methylsulfonyl-3-pyridinyl)amino]ethoxy]-5-quinolin-6-ylpyrazin-2-amine
PubChem CID154658244
Molecular FormulaC25H24N8O3S
Molecular Weight516.59 g/mol
Exact Mass516.17
IUPAC Name6-(1-methylpyrazol-3-yl)-3-[2-[(5-methylsulfonyl-3-pyridinyl)amino]ethoxy]-5-quinolin-6-ylpyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(OCCNc3cncc(S(C)(=O)=O)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C25H24N8O3S/c1-33-10-7-21(32-33)23-22(17-5-6-20-16(12-17)4-3-8-29-20)31-25(24(26)30-23)36-11-9-28-18-13-19(15-27-14-18)37(2,34)35/h3-8,10,12-15,28H,9,11H2,1-2H3,(H2,26,30)
InChIKeyYFIKSUPTXWFFRV-UHFFFAOYSA-N
XLogP2.96
TPSA150.80 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.59
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-[2-[3-amino-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazin-2-yl]oxyethyl]-5-N-methylsulfanylpyridine-3,5-diamine
CID 154658290
3-amino-5-(1-methylpyrazol-3-yl)-N-(pyridin-3-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604735
3-amino-5-(1-methylpyrazol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604553
3-amino-N-[2-(5-fluoro-2-pyridinyl)propan-2-yl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604685
3-amino-N-(isoquinolin-3-ylmethyl)-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657882
3-amino-N-isoquinolin-1-yl-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658312
3-amino-N-[[5-methoxy-6-(trifluoromethyl)-2-pyridinyl]methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604574
3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657859
3-amino-5-(1-methylpyrazol-3-yl)-N-[(6-propan-2-yl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658102
3-amino-N-[(1-ethylimidazol-2-yl)methyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604475
3-amino-5-(1-methylpyrazol-3-yl)-N-[(5-methyl-6-pyridin-2-yl-2-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658010
3-amino-N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657834

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-3-yl)-3-[2-[(5-methylsulfonyl-3-pyridinyl)amino]ethoxy]-5-quinolin-6-ylpyrazin-2-amine?
The IUPAC name of 6-(1-methylpyrazol-3-yl)-3-[2-[(5-methylsulfonyl-3-pyridinyl)amino]ethoxy]-5-quinolin-6-ylpyrazin-2-amine (CID 154658244) is 6-(1-methylpyrazol-3-yl)-3-[2-[(5-methylsulfonyl-3-pyridinyl)amino]ethoxy]-5-quinolin-6-ylpyrazin-2-amine.
What is the SMILES notation for 6-(1-methylpyrazol-3-yl)-3-[2-[(5-methylsulfonyl-3-pyridinyl)amino]ethoxy]-5-quinolin-6-ylpyrazin-2-amine?
The canonical SMILES for 6-(1-methylpyrazol-3-yl)-3-[2-[(5-methylsulfonyl-3-pyridinyl)amino]ethoxy]-5-quinolin-6-ylpyrazin-2-amine is Cn1ccc(-c2nc(N)c(OCCNc3cncc(S(C)(=O)=O)c3)nc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 6-(1-methylpyrazol-3-yl)-3-[2-[(5-methylsulfonyl-3-pyridinyl)amino]ethoxy]-5-quinolin-6-ylpyrazin-2-amine?
The InChIKey is YFIKSUPTXWFFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O3S/c1-33-10-7-21(32-33)23-22(17-5-6-20-16(12-17)4-3-8-29-20)31-25(24(26)30-23)36-11-9-28-18-13-19(15-27-14-18)37(2,34)35/h3-8,10,12-15,28H,9,11H2,1-2H3,(H2,26,30).
What are the key properties of 6-(1-methylpyrazol-3-yl)-3-[2-[(5-methylsulfonyl-3-pyridinyl)amino]ethoxy]-5-quinolin-6-ylpyrazin-2-amine?
6-(1-methylpyrazol-3-yl)-3-[2-[(5-methylsulfonyl-3-pyridinyl)amino]ethoxy]-5-quinolin-6-ylpyrazin-2-amine has a molecular weight of 516.59 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-3-yl)-3-[2-[(5-methylsulfonyl-3-pyridinyl)amino]ethoxy]-5-quinolin-6-ylpyrazin-2-amine is sourced from PubChem (CID 154658244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).