2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(5-methylsulfonylthiophen-2-yl)-3-pyridinyl]acetic acid

C18H18N4O4S2 — CID 123724789

IUPAC2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(5-methylsulfonylthiophen-2-yl)-3-pyridinyl]acetic acid
SMILESCS(=O)(=O)c1ccc(-c2ccc(CC(=O)O)c(Nc3cc(C4CC4)[nH]n3)n2)s1
InChIInChI=1S/C18H18N4O4S2/c1-28(25,26)17-7-6-14(27-17)12-5-4-11(8-16(23)24)18(19-12)20-15-9-13(21-22-15)10-2-3-10/h4-7,9-10H,2-3,8H2,1H3,(H,23,24)(H2,19,20,21,22)
InChIKeyQKWZPWVFDPDPHW-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.18
Rot. Bonds7

About 2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(5-methylsulfonylthiophen-2-yl)-3-pyridinyl]acetic acid

2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(5-methylsulfonylthiophen-2-yl)-3-pyridinyl]acetic acid (PubChem CID 123724789) has the molecular formula C18H18N4O4S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(5-methylsulfonylthiophen-2-yl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(5-methylsulfonylthiophen-2-yl)-3-pyridinyl]acetic acid
PubChem CID123724789
Molecular FormulaC18H18N4O4S2
Molecular Weight418.50 g/mol
Exact Mass418.08
IUPAC Name2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(5-methylsulfonylthiophen-2-yl)-3-pyridinyl]acetic acid
SMILESCS(=O)(=O)c1ccc(-c2ccc(CC(=O)O)c(Nc3cc(C4CC4)[nH]n3)n2)s1
InChIInChI=1S/C18H18N4O4S2/c1-28(25,26)17-7-6-14(27-17)12-5-4-11(8-16(23)24)18(19-12)20-15-9-13(21-22-15)10-2-3-10/h4-7,9-10H,2-3,8H2,1H3,(H,23,24)(H2,19,20,21,22)
InChIKeyQKWZPWVFDPDPHW-UHFFFAOYSA-N
XLogP3.18
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(5-methylsulfonylthiophen-2-yl)-3-pyridinyl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylsulfonylthiophen-2-yl)pyrimidine-4,6-diamine
CID 70792528
N-tert-butyl-5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methyl-2-pyridinyl]thiophene-2-sulfonamide
CID 58169181
5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]thiophene-2-sulfonamide;molecular hydrogen
CID 160774366
N-[2-[[5-[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]acetamide;molecular hydrogen
CID 161217661
2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxylic acid
CID 90230196
5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
CID 159662036
5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynyl-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
CID 158743301
N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]-2,2-dimethylpropanamide
CID 50943688
1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]ethane-1,2-diol
CID 50943955
CID 70792463
CID 70792463
5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide
CID 58169441
methyl N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]carbamate
CID 58169237

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(5-methylsulfonylthiophen-2-yl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(5-methylsulfonylthiophen-2-yl)-3-pyridinyl]acetic acid (CID 123724789) is 2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(5-methylsulfonylthiophen-2-yl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(5-methylsulfonylthiophen-2-yl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(5-methylsulfonylthiophen-2-yl)-3-pyridinyl]acetic acid is CS(=O)(=O)c1ccc(-c2ccc(CC(=O)O)c(Nc3cc(C4CC4)[nH]n3)n2)s1.
What is the InChIKey of 2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(5-methylsulfonylthiophen-2-yl)-3-pyridinyl]acetic acid?
The InChIKey is QKWZPWVFDPDPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S2/c1-28(25,26)17-7-6-14(27-17)12-5-4-11(8-16(23)24)18(19-12)20-15-9-13(21-22-15)10-2-3-10/h4-7,9-10H,2-3,8H2,1H3,(H,23,24)(H2,19,20,21,22).
What are the key properties of 2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(5-methylsulfonylthiophen-2-yl)-3-pyridinyl]acetic acid?
2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(5-methylsulfonylthiophen-2-yl)-3-pyridinyl]acetic acid has a molecular weight of 418.50 g/mol, XLogP of 3.18, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(5-methylsulfonylthiophen-2-yl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 123724789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).