Skip to content

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

C15H21N7O2S2 — CID 159630920

Data last refreshed: (MolForge compound catalog, from PubChem)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.