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

C45H65ClN20O5S5 — CID 159655622

IUPAC5-[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
SMILESCc1nc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)sc1C(C)O.N#Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(-c2ccc(S(N)(=O)=O)s2)n1.Nc1cc(Nc2cc(C3CC3)[nH]n2)nc(-c2ccc(S(N)(=O)=O)s2)n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C16H17ClN6OS.C15H13N7O2S2.C14H15N7O2S2.10H2/c1-7-13(8(2)24)25-16(19-7)15-18-6-10(17)14(21-15)20-12-5-11(22-23-12)9-3-4-9;16-7-9-5-12(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;15-10-6-11(18-12-5-8(20-21-12)7-1-2-7)19-14(17-10)9-3-4-13(24-9)25(16,22)23;;;;;;;;;;/h5-6,8-9,24H,3-4H2,1-2H3,(H2,18,20,21,22,23);3-6,8H,1-2H2,(H2,17,23,24)(H2,18,19,20,21,22);3-7H,1-2H2,(H2,16,22,23)(H4,15,17,18,19,20,21);10*1H
InChIKeyMSDCZQFEBDVLEX-UHFFFAOYSA-N
MW1161.94 g/mol
LogP10.27
Rot. Bonds15

About 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

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 (PubChem CID 159655622) has the molecular formula C45H65ClN20O5S5 and a molecular weight of 1161.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID159655622
Molecular FormulaC45H65ClN20O5S5
Molecular Weight1161.94 g/mol
Exact Mass1160.37
IUPAC Name5-[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
SMILESCc1nc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)sc1C(C)O.N#Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(-c2ccc(S(N)(=O)=O)s2)n1.Nc1cc(Nc2cc(C3CC3)[nH]n2)nc(-c2ccc(S(N)(=O)=O)s2)n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C16H17ClN6OS.C15H13N7O2S2.C14H15N7O2S2.10H2/c1-7-13(8(2)24)25-16(19-7)15-18-6-10(17)14(21-15)20-12-5-11(22-23-12)9-3-4-9;16-7-9-5-12(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;15-10-6-11(18-12-5-8(20-21-12)7-1-2-7)19-14(17-10)9-3-4-13(24-9)25(16,22)23;;;;;;;;;;/h5-6,8-9,24H,3-4H2,1-2H3,(H2,18,20,21,22,23);3-6,8H,1-2H2,(H2,17,23,24)(H2,18,19,20,21,22);3-7H,1-2H2,(H2,16,22,23)(H4,15,17,18,19,20,21);10*1H
InChIKeyMSDCZQFEBDVLEX-UHFFFAOYSA-N
XLogP10.27
TPSA402.72 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms76
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001161.94
LogP ≤ 510.27
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Analyze 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 with MolForge

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Related Compounds

5-[4-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
CID 159630920
5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide
CID 58169441
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 58169387
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylsulfonylthiophen-2-yl)pyrimidine-4,6-diamine
CID 70792528
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
5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]thiophene-2-sulfonamide;molecular hydrogen
CID 160774366
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylsulfinylthiophen-2-yl)pyrimidin-4-amine
CID 58169128
5-[5-chloro-2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]thiophene-2-sulfonamide;1-[3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanol;5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]thiophene-2-sulfonamide;2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]ethyl acetate;molecular hydrogen
CID 159247542
5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carboximidamide;1-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]ethane-1,2-diol;1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]ethane-1,2-diol;molecular hydrogen
CID 158598531
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethanimidoylthiophen-2-yl)pyrimidin-4-amine
CID 90381576
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)sc1C(C)O.N#Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(-c2ccc(S(N)(=O)=O)s2)n1.Nc1cc(Nc2cc(C3CC3)[nH]n2)nc(-c2ccc(S(N)(=O)=O)s2)n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 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?
The InChIKey is MSDCZQFEBDVLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6OS.C15H13N7O2S2.C14H15N7O2S2.10H2/c1-7-13(8(2)24)25-16(19-7)15-18-6-10(17)14(21-15)20-12-5-11(22-23-12)9-3-4-9;16-7-9-5-12(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;15-10-6-11(18-12-5-8(20-21-12)7-1-2-7)19-14(17-10)9-3-4-13(24-9)25(16,22)23;;;;;;;;;;/h5-6,8-9,24H,3-4H2,1-2H3,(H2,18,20,21,22,23);3-6,8H,1-2H2,(H2,17,23,24)(H2,18,19,20,21,22);3-7H,1-2H2,(H2,16,22,23)(H4,15,17,18,19,20,21);10*1H.
What are the key properties of 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?
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 has a molecular weight of 1161.94 g/mol, XLogP of 10.27, 15 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159655622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).