5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen

C66H76ClN21O4S4 — CID 159028478

IUPAC5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen
SMILESCNS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.COC/C=C/c1cnc(-c2ccccc2)nc1Nc1cc(C2CC2)[nH]n1.Cc1cnc(-c2ccc(CO)s2)nc1Nc1cc(C2CC2)[nH]n1.Cc1cnc(-c2cccs2)nc1Nc1cc(C2CC2)[nH]n1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C20H21N5O.C16H17N5OS.C15H15ClN6O2S2.C15H15N5S.4H2/c1-26-11-5-8-16-13-21-19(15-6-3-2-4-7-15)23-20(16)22-18-12-17(24-25-18)14-9-10-14;1-9-7-17-16(13-5-4-11(8-22)23-13)19-15(9)18-14-6-12(20-21-14)10-2-3-10;1-17-26(23,24)13-5-4-11(25-13)15-18-7-9(16)14(20-15)19-12-6-10(21-22-12)8-2-3-8;1-9-8-16-15(12-3-2-6-21-12)18-14(9)17-13-7-11(19-20-13)10-4-5-10;;;;/h2-8,12-14H,9-11H2,1H3,(H2,21,22,23,24,25);4-7,10,22H,2-3,8H2,1H3,(H2,17,18,19,20,21);4-8,17H,2-3H2,1H3,(H2,18,19,20,21,22);2-3,6-8,10H,4-5H2,1H3,(H2,16,17,18,19,20);4*1H/b8-5+;;;;;;;
InChIKeyJUOOQUGQOARROF-MROYUDGZSA-N
MW1391.20 g/mol
LogP15.45
Rot. Bonds22

About 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen

5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen (PubChem CID 159028478) has the molecular formula C66H76ClN21O4S4 and a molecular weight of 1391.20 g/mol. Its IUPAC name is 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen.

Molecular Properties

Compound Name5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen
PubChem CID159028478
Molecular FormulaC66H76ClN21O4S4
Molecular Weight1391.20 g/mol
Exact Mass1389.50
IUPAC Name5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen
SMILESCNS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.COC/C=C/c1cnc(-c2ccccc2)nc1Nc1cc(C2CC2)[nH]n1.Cc1cnc(-c2ccc(CO)s2)nc1Nc1cc(C2CC2)[nH]n1.Cc1cnc(-c2cccs2)nc1Nc1cc(C2CC2)[nH]n1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C20H21N5O.C16H17N5OS.C15H15ClN6O2S2.C15H15N5S.4H2/c1-26-11-5-8-16-13-21-19(15-6-3-2-4-7-15)23-20(16)22-18-12-17(24-25-18)14-9-10-14;1-9-7-17-16(13-5-4-11(8-22)23-13)19-15(9)18-14-6-12(20-21-14)10-2-3-10;1-17-26(23,24)13-5-4-11(25-13)15-18-7-9(16)14(20-15)19-12-6-10(21-22-12)8-2-3-8;1-9-8-16-15(12-3-2-6-21-12)18-14(9)17-13-7-11(19-20-13)10-4-5-10;;;;/h2-8,12-14H,9-11H2,1H3,(H2,21,22,23,24,25);4-7,10,22H,2-3,8H2,1H3,(H2,17,18,19,20,21);4-8,17H,2-3H2,1H3,(H2,18,19,20,21,22);2-3,6-8,10H,4-5H2,1H3,(H2,16,17,18,19,20);4*1H/b8-5+;;;;;;;
InChIKeyJUOOQUGQOARROF-MROYUDGZSA-N
XLogP15.45
TPSA341.59 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001391.20
LogP ≤ 515.45
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Analyze 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen?
The IUPAC name of 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen (CID 159028478) is 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen.
What is the SMILES notation for 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen?
The canonical SMILES for 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen is CNS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.COC/C=C/c1cnc(-c2ccccc2)nc1Nc1cc(C2CC2)[nH]n1.Cc1cnc(-c2ccc(CO)s2)nc1Nc1cc(C2CC2)[nH]n1.Cc1cnc(-c2cccs2)nc1Nc1cc(C2CC2)[nH]n1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen?
The InChIKey is JUOOQUGQOARROF-MROYUDGZSA-N. The full InChI is InChI=1S/C20H21N5O.C16H17N5OS.C15H15ClN6O2S2.C15H15N5S.4H2/c1-26-11-5-8-16-13-21-19(15-6-3-2-4-7-15)23-20(16)22-18-12-17(24-25-18)14-9-10-14;1-9-7-17-16(13-5-4-11(8-22)23-13)19-15(9)18-14-6-12(20-21-14)10-2-3-10;1-17-26(23,24)13-5-4-11(25-13)15-18-7-9(16)14(20-15)19-12-6-10(21-22-12)8-2-3-8;1-9-8-16-15(12-3-2-6-21-12)18-14(9)17-13-7-11(19-20-13)10-4-5-10;;;;/h2-8,12-14H,9-11H2,1H3,(H2,21,22,23,24,25);4-7,10,22H,2-3,8H2,1H3,(H2,17,18,19,20,21);4-8,17H,2-3H2,1H3,(H2,18,19,20,21,22);2-3,6-8,10H,4-5H2,1H3,(H2,16,17,18,19,20);4*1H/b8-5+;;;;;;;.
What are the key properties of 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen?
5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen has a molecular weight of 1391.20 g/mol, XLogP of 15.45, 22 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(E)-3-methoxyprop-1-enyl]-2-phenylpyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-thiophen-2-ylpyrimidin-4-amine;molecular hydrogen is sourced from PubChem (CID 159028478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).