3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-piperazin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanone;molecular hydrogen

C70H86Cl3FN24O7S5 — CID 160541412

IUPAC3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-piperazin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanone;molecular hydrogen
SMILESCC(=O)NCc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.CC(=O)c1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)s1.CN(CCO)S(=O)(=O)c1cccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)c1.O=S(=O)(c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1)N1CCNCC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C19H21ClN6O3S.C18H20ClN7O2S2.C17H17ClN6OS.C16H14FN5OS.7H2/c1-26(7-8-27)30(28,29)14-4-2-3-13(9-14)18-21-11-15(20)19(23-18)22-17-10-16(24-25-17)12-5-6-12;19-12-10-21-18(23-17(12)22-15-9-13(24-25-15)11-1-2-11)14-3-4-16(29-14)30(27,28)26-7-5-20-6-8-26;1-9(25)19-7-11-4-5-14(26-11)17-20-8-12(18)16(22-17)21-15-6-13(23-24-15)10-2-3-10;1-8(23)12-4-5-13(24-12)16-18-7-10(17)15(20-16)19-14-6-11(21-22-14)9-2-3-9;;;;;;;/h2-4,9-12,27H,5-8H2,1H3,(H2,21,22,23,24,25);3-4,9-11,20H,1-2,5-8H2,(H2,21,22,23,24,25);4-6,8,10H,2-3,7H2,1H3,(H,19,25)(H2,20,21,22,23,24);4-7,9H,2-3H2,1H3,(H2,18,19,20,21,22);7*1H
InChIKeyQWVKMYPAXOGARX-UHFFFAOYSA-N
MW1661.31 g/mol
LogP15.00
Rot. Bonds25

About 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-piperazin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanone;molecular hydrogen

3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-piperazin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanone;molecular hydrogen (PubChem CID 160541412) has the molecular formula C70H86Cl3FN24O7S5 and a molecular weight of 1661.31 g/mol. Its IUPAC name is 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-piperazin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanone;molecular hydrogen.

Molecular Properties

Compound Name3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-piperazin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanone;molecular hydrogen
PubChem CID160541412
Molecular FormulaC70H86Cl3FN24O7S5
Molecular Weight1661.31 g/mol
Exact Mass1658.48
IUPAC Name3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-piperazin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanone;molecular hydrogen
SMILESCC(=O)NCc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.CC(=O)c1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)s1.CN(CCO)S(=O)(=O)c1cccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)c1.O=S(=O)(c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1)N1CCNCC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C19H21ClN6O3S.C18H20ClN7O2S2.C17H17ClN6OS.C16H14FN5OS.7H2/c1-26(7-8-27)30(28,29)14-4-2-3-13(9-14)18-21-11-15(20)19(23-18)22-17-10-16(24-25-17)12-5-6-12;19-12-10-21-18(23-17(12)22-15-9-13(24-25-15)11-1-2-11)14-3-4-16(29-14)30(27,28)26-7-5-20-6-8-26;1-9(25)19-7-11-4-5-14(26-11)17-20-8-12(18)16(22-17)21-15-6-13(23-24-15)10-2-3-10;1-8(23)12-4-5-13(24-12)16-18-7-10(17)15(20-16)19-14-6-11(21-22-14)9-2-3-9;;;;;;;/h2-4,9-12,27H,5-8H2,1H3,(H2,21,22,23,24,25);3-4,9-11,20H,1-2,5-8H2,(H2,21,22,23,24,25);4-6,8,10H,2-3,7H2,1H3,(H,19,25)(H2,20,21,22,23,24);4-7,9H,2-3H2,1H3,(H2,18,19,20,21,22);7*1H
InChIKeyQWVKMYPAXOGARX-UHFFFAOYSA-N
XLogP15.00
TPSA419.15 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds25
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001661.31
LogP ≤ 515.00
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

Analyze 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-piperazin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanone;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-piperazin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanone;molecular hydrogen?
The IUPAC name of 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-piperazin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanone;molecular hydrogen (CID 160541412) is 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-piperazin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanone;molecular hydrogen.
What is the SMILES notation for 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-piperazin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanone;molecular hydrogen?
The canonical SMILES for 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-piperazin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanone;molecular hydrogen is CC(=O)NCc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.CC(=O)c1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)s1.CN(CCO)S(=O)(=O)c1cccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)c1.O=S(=O)(c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1)N1CCNCC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-piperazin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanone;molecular hydrogen?
The InChIKey is QWVKMYPAXOGARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O3S.C18H20ClN7O2S2.C17H17ClN6OS.C16H14FN5OS.7H2/c1-26(7-8-27)30(28,29)14-4-2-3-13(9-14)18-21-11-15(20)19(23-18)22-17-10-16(24-25-17)12-5-6-12;19-12-10-21-18(23-17(12)22-15-9-13(24-25-15)11-1-2-11)14-3-4-16(29-14)30(27,28)26-7-5-20-6-8-26;1-9(25)19-7-11-4-5-14(26-11)17-20-8-12(18)16(22-17)21-15-6-13(23-24-15)10-2-3-10;1-8(23)12-4-5-13(24-12)16-18-7-10(17)15(20-16)19-14-6-11(21-22-14)9-2-3-9;;;;;;;/h2-4,9-12,27H,5-8H2,1H3,(H2,21,22,23,24,25);3-4,9-11,20H,1-2,5-8H2,(H2,21,22,23,24,25);4-6,8,10H,2-3,7H2,1H3,(H,19,25)(H2,20,21,22,23,24);4-7,9H,2-3H2,1H3,(H2,18,19,20,21,22);7*1H.
What are the key properties of 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-piperazin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanone;molecular hydrogen?
3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-piperazin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanone;molecular hydrogen has a molecular weight of 1661.31 g/mol, XLogP of 15.00, 25 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide;N-[[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-piperazin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanone;molecular hydrogen is sourced from PubChem (CID 160541412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).