potassium;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;hydroxide

C30H24Cl2KN11O3S2 — CID 158433522

IUPACpotassium;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;hydroxide
SMILESN#Cc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.O=C(O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[K+].[OH-]
InChIInChI=1S/C15H11ClN6S.C15H12ClN5O2S.K.H2O/c16-10-7-18-15(12-4-3-9(6-17)23-12)20-14(10)19-13-5-11(21-22-13)8-1-2-8;16-8-6-17-14(10-3-4-11(24-10)15(22)23)19-13(8)18-12-5-9(20-21-12)7-1-2-7;;/h3-5,7-8H,1-2H2,(H2,18,19,20,21,22);3-7H,1-2H2,(H,22,23)(H2,17,18,19,20,21);;1H2/q;;+1;/p-1
InChIKeyHBYGAKOCZSNLCT-UHFFFAOYSA-M
MW760.73 g/mol
LogP4.80
Rot. Bonds9

About potassium;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;hydroxide

potassium;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;hydroxide (PubChem CID 158433522) has the molecular formula C30H24Cl2KN11O3S2 and a molecular weight of 760.73 g/mol. Its IUPAC name is potassium;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;hydroxide.

Molecular Properties

Compound Namepotassium;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;hydroxide
PubChem CID158433522
Molecular FormulaC30H24Cl2KN11O3S2
Molecular Weight760.73 g/mol
Exact Mass759.05
IUPAC Namepotassium;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;hydroxide
SMILESN#Cc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.O=C(O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[K+].[OH-]
InChIInChI=1S/C15H11ClN6S.C15H12ClN5O2S.K.H2O/c16-10-7-18-15(12-4-3-9(6-17)23-12)20-14(10)19-13-5-11(21-22-13)8-1-2-8;16-8-6-17-14(10-3-4-11(24-10)15(22)23)19-13(8)18-12-5-9(20-21-12)7-1-2-7;;/h3-5,7-8H,1-2H2,(H2,18,19,20,21,22);3-7H,1-2H2,(H,22,23)(H2,17,18,19,20,21);;1H2/q;;+1;/p-1
InChIKeyHBYGAKOCZSNLCT-UHFFFAOYSA-M
XLogP4.80
TPSA224.07 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.73
LogP ≤ 54.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze potassium;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;hydroxide?
The IUPAC name of potassium;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;hydroxide (CID 158433522) is potassium;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;hydroxide.
What is the SMILES notation for potassium;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;hydroxide?
The canonical SMILES for potassium;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;hydroxide is N#Cc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.O=C(O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[K+].[OH-].
What is the InChIKey of potassium;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;hydroxide?
The InChIKey is HBYGAKOCZSNLCT-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11ClN6S.C15H12ClN5O2S.K.H2O/c16-10-7-18-15(12-4-3-9(6-17)23-12)20-14(10)19-13-5-11(21-22-13)8-1-2-8;16-8-6-17-14(10-3-4-11(24-10)15(22)23)19-13(8)18-12-5-9(20-21-12)7-1-2-7;;/h3-5,7-8H,1-2H2,(H2,18,19,20,21,22);3-7H,1-2H2,(H,22,23)(H2,17,18,19,20,21);;1H2/q;;+1;/p-1.
What are the key properties of potassium;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;hydroxide?
potassium;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;hydroxide has a molecular weight of 760.73 g/mol, XLogP of 4.80, 9 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboxylic acid;hydroxide is sourced from PubChem (CID 158433522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).