2-amino-5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]pyridine-3-sulfonamide

C17H14N6O2S — CID 59860158

IUPAC2-amino-5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]pyridine-3-sulfonamide
SMILESNc1ncc(-c2ccc3nccc(-c4cn[nH]c4)c3c2)cc1S(N)(=O)=O
InChIInChI=1S/C17H14N6O2S/c18-17-16(26(19,24)25)6-11(7-21-17)10-1-2-15-14(5-10)13(3-4-20-15)12-8-22-23-9-12/h1-9H,(H2,18,21)(H,22,23)(H2,19,24,25)
InChIKeyGAOJHCFUDCLQTQ-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.92
Rot. Bonds3

About 2-amino-5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]pyridine-3-sulfonamide

2-amino-5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]pyridine-3-sulfonamide (PubChem CID 59860158) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is 2-amino-5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]pyridine-3-sulfonamide
PubChem CID59860158
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC Name2-amino-5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]pyridine-3-sulfonamide
SMILESNc1ncc(-c2ccc3nccc(-c4cn[nH]c4)c3c2)cc1S(N)(=O)=O
InChIInChI=1S/C17H14N6O2S/c18-17-16(26(19,24)25)6-11(7-21-17)10-1-2-15-14(5-10)13(3-4-20-15)12-8-22-23-9-12/h1-9H,(H2,18,21)(H,22,23)(H2,19,24,25)
InChIKeyGAOJHCFUDCLQTQ-UHFFFAOYSA-N
XLogP1.92
TPSA140.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]pyridine-3-sulfonamide (CID 59860158) is 2-amino-5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]pyridine-3-sulfonamide is Nc1ncc(-c2ccc3nccc(-c4cn[nH]c4)c3c2)cc1S(N)(=O)=O.
What is the InChIKey of 2-amino-5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]pyridine-3-sulfonamide?
The InChIKey is GAOJHCFUDCLQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c18-17-16(26(19,24)25)6-11(7-21-17)10-1-2-15-14(5-10)13(3-4-20-15)12-8-22-23-9-12/h1-9H,(H2,18,21)(H,22,23)(H2,19,24,25).
What are the key properties of 2-amino-5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]pyridine-3-sulfonamide?
2-amino-5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]pyridine-3-sulfonamide has a molecular weight of 366.41 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 59860158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).