5-[4-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen

C15H21N7O2S2 — CID 159630920

IUPAC5-[4-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
SMILESN#Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(-c2ccc(S(N)(=O)=O)s2)n1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C15H13N7O2S2.4H2/c16-7-9-5-12(19-13-6-10(21-22-13)8-1-2-8)20-15(18-9)11-3-4-14(25-11)26(17,23)24;;;;/h3-6,8H,1-2H2,(H2,17,23,24)(H2,18,19,20,21,22);4*1H
InChIKeyMPCOWYSMIGORJC-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.05
Rot. Bonds5

About 5-[4-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen

5-[4-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen (PubChem CID 159630920) has the molecular formula C15H21N7O2S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 5-[4-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen.

Molecular Properties

Compound Name5-[4-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
PubChem CID159630920
Molecular FormulaC15H21N7O2S2
Molecular Weight395.51 g/mol
Exact Mass395.12
IUPAC Name5-[4-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
SMILESN#Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(-c2ccc(S(N)(=O)=O)s2)n1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C15H13N7O2S2.4H2/c16-7-9-5-12(19-13-6-10(21-22-13)8-1-2-8)20-15(18-9)11-3-4-14(25-11)26(17,23)24;;;;/h3-6,8H,1-2H2,(H2,17,23,24)(H2,18,19,20,21,22);4*1H
InChIKeyMPCOWYSMIGORJC-UHFFFAOYSA-N
XLogP3.05
TPSA150.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-amino-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;1-[2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4-methyl-1,3-thiazol-5-yl]ethanol;5-[4-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
CID 159655622
5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]thiophene-2-sulfonamide;molecular hydrogen
CID 160774366
5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynyl-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
CID 158743301
5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
CID 159662036
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylsulfonylthiophen-2-yl)pyrimidine-4,6-diamine
CID 70792528
5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide
CID 58169441
2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxylic acid
CID 90230196
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
N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynyl-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynyl-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(E)-3-(2,2-dimethylpropylsulfonyl)prop-1-enyl]pyridin-2-amine;molecular hydrogen
CID 158484335
2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(5-methylsulfonylthiophen-2-yl)-3-pyridinyl]acetic acid
CID 123724789
N-tert-butyl-5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methyl-2-pyridinyl]thiophene-2-sulfonamide
CID 58169181
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

Frequently Asked Questions

What is the IUPAC name of 5-[4-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen?
The IUPAC name of 5-[4-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen (CID 159630920) is 5-[4-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen.
What is the SMILES notation for 5-[4-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen?
The canonical SMILES for 5-[4-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen is N#Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(-c2ccc(S(N)(=O)=O)s2)n1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 5-[4-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen?
The InChIKey is MPCOWYSMIGORJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O2S2.4H2/c16-7-9-5-12(19-13-6-10(21-22-13)8-1-2-8)20-15(18-9)11-3-4-14(25-11)26(17,23)24;;;;/h3-6,8H,1-2H2,(H2,17,23,24)(H2,18,19,20,21,22);4*1H.
What are the key properties of 5-[4-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen?
5-[4-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen has a molecular weight of 395.51 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen is sourced from PubChem (CID 159630920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).