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

C15H13N7O2S2 — CID 134815860

IUPAC5-[5-cyano-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide
SMILESN#Cc1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C15H13N7O2S2/c16-6-9-7-18-15(11-3-4-13(25-11)26(17,23)24)20-14(9)19-12-5-10(21-22-12)8-1-2-8/h3-5,7-8H,1-2H2,(H2,17,23,24)(H2,18,19,20,21,22)
InChIKeyVWDBOWHYYMADQM-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.07
Rot. Bonds5

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

5-[5-cyano-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide (PubChem CID 134815860) has the molecular formula C15H13N7O2S2 and a molecular weight of 387.45 g/mol. Its IUPAC name is 5-[5-cyano-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[5-cyano-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide
PubChem CID134815860
Molecular FormulaC15H13N7O2S2
Molecular Weight387.45 g/mol
Exact Mass387.06
IUPAC Name5-[5-cyano-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide
SMILESN#Cc1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C15H13N7O2S2/c16-6-9-7-18-15(11-3-4-13(25-11)26(17,23)24)20-14(9)19-12-5-10(21-22-12)8-1-2-8/h3-5,7-8H,1-2H2,(H2,17,23,24)(H2,18,19,20,21,22)
InChIKeyVWDBOWHYYMADQM-UHFFFAOYSA-N
XLogP2.07
TPSA150.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[5-cyano-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-[5-cyano-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide (CID 134815860) is 5-[5-cyano-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[5-cyano-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[5-cyano-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide is N#Cc1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-[5-cyano-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide?
The InChIKey is VWDBOWHYYMADQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O2S2/c16-6-9-7-18-15(11-3-4-13(25-11)26(17,23)24)20-14(9)19-12-5-10(21-22-12)8-1-2-8/h3-5,7-8H,1-2H2,(H2,17,23,24)(H2,18,19,20,21,22).
What are the key properties of 5-[5-cyano-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide?
5-[5-cyano-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide has a molecular weight of 387.45 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-cyano-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 134815860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).