2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzamide;2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzenesulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;molecular hydrogen

C83H93Cl2F2N29O7S4 — CID 160557891

IUPAC2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzamide;2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzenesulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;molecular hydrogen
SMILESCNS(=O)(=O)c1ccc(-c2ncc(C)c(Nc3cc(C4CC4)[nH]n3)n2)s1.Cc1cnc(-c2ccc(CO)s2)nc1Nc1cc(C2CC2)[nH]n1.Cc1cnc(-c2ccc(Cl)c(C(N)=O)c2)nc1Nc1cc(C2CC2)[nH]n1.NC(=O)c1cc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)ccc1Cl.NS(=O)(=O)c1cccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C18H17ClN6O.C17H14ClFN6O.C16H15FN6O2S.C16H18N6O2S2.C16H17N5OS.6H2/c1-9-8-21-18(11-4-5-13(19)12(6-11)16(20)26)23-17(9)22-15-7-14(24-25-15)10-2-3-10;18-11-4-3-9(5-10(11)15(20)26)16-21-7-12(19)17(23-16)22-14-6-13(24-25-14)8-1-2-8;17-12-8-19-15(10-2-1-3-11(6-10)26(18,24)25)21-16(12)20-14-7-13(22-23-14)9-4-5-9;1-9-8-18-16(12-5-6-14(25-12)26(23,24)17-2)20-15(9)19-13-7-11(21-22-13)10-3-4-10;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;;;;;;/h4-8,10H,2-3H2,1H3,(H2,20,26)(H2,21,22,23,24,25);3-8H,1-2H2,(H2,20,26)(H2,21,22,23,24,25);1-3,6-9H,4-5H2,(H2,18,24,25)(H2,19,20,21,22,23);5-8,10,17H,3-4H2,1-2H3,(H2,18,19,20,21,22);4-7,10,22H,2-3,8H2,1H3,(H2,17,18,19,20,21);6*1H
InChIKeyQYXULIWPCGMWSQ-UHFFFAOYSA-N
MW1846.02 g/mol
LogP16.79
Rot. Bonds26

About 2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzamide;2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzenesulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;molecular hydrogen

2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzamide;2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzenesulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;molecular hydrogen (PubChem CID 160557891) has the molecular formula C83H93Cl2F2N29O7S4 and a molecular weight of 1846.02 g/mol. Its IUPAC name is 2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzamide;2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzenesulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;molecular hydrogen.

Molecular Properties

Compound Name2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzamide;2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzenesulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;molecular hydrogen
PubChem CID160557891
Molecular FormulaC83H93Cl2F2N29O7S4
Molecular Weight1846.02 g/mol
Exact Mass1843.60
IUPAC Name2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzamide;2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzenesulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;molecular hydrogen
SMILESCNS(=O)(=O)c1ccc(-c2ncc(C)c(Nc3cc(C4CC4)[nH]n3)n2)s1.Cc1cnc(-c2ccc(CO)s2)nc1Nc1cc(C2CC2)[nH]n1.Cc1cnc(-c2ccc(Cl)c(C(N)=O)c2)nc1Nc1cc(C2CC2)[nH]n1.NC(=O)c1cc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)ccc1Cl.NS(=O)(=O)c1cccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C18H17ClN6O.C17H14ClFN6O.C16H15FN6O2S.C16H18N6O2S2.C16H17N5OS.6H2/c1-9-8-21-18(11-4-5-13(19)12(6-11)16(20)26)23-17(9)22-15-7-14(24-25-15)10-2-3-10;18-11-4-3-9(5-10(11)15(20)26)16-21-7-12(19)17(23-16)22-14-6-13(24-25-14)8-1-2-8;17-12-8-19-15(10-2-1-3-11(6-10)26(18,24)25)21-16(12)20-14-7-13(22-23-14)9-4-5-9;1-9-8-18-16(12-5-6-14(25-12)26(23,24)17-2)20-15(9)19-13-7-11(21-22-13)10-3-4-10;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;;;;;;/h4-8,10H,2-3H2,1H3,(H2,20,26)(H2,21,22,23,24,25);3-8H,1-2H2,(H2,20,26)(H2,21,22,23,24,25);1-3,6-9H,4-5H2,(H2,18,24,25)(H2,19,20,21,22,23);5-8,10,17H,3-4H2,1-2H3,(H2,18,19,20,21,22);4-7,10,22H,2-3,8H2,1H3,(H2,17,18,19,20,21);6*1H
InChIKeyQYXULIWPCGMWSQ-UHFFFAOYSA-N
XLogP16.79
TPSA545.19 Ų
H-Bond Donors15
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001846.02
LogP ≤ 516.79
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1029

Analyze 2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzamide;2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzenesulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzamide;2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzenesulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;molecular hydrogen?
The IUPAC name of 2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzamide;2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzenesulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;molecular hydrogen (CID 160557891) is 2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzamide;2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzenesulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;molecular hydrogen.
What is the SMILES notation for 2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzamide;2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzenesulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;molecular hydrogen?
The canonical SMILES for 2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzamide;2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzenesulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;molecular hydrogen is CNS(=O)(=O)c1ccc(-c2ncc(C)c(Nc3cc(C4CC4)[nH]n3)n2)s1.Cc1cnc(-c2ccc(CO)s2)nc1Nc1cc(C2CC2)[nH]n1.Cc1cnc(-c2ccc(Cl)c(C(N)=O)c2)nc1Nc1cc(C2CC2)[nH]n1.NC(=O)c1cc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)ccc1Cl.NS(=O)(=O)c1cccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzamide;2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzenesulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;molecular hydrogen?
The InChIKey is QYXULIWPCGMWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O.C17H14ClFN6O.C16H15FN6O2S.C16H18N6O2S2.C16H17N5OS.6H2/c1-9-8-21-18(11-4-5-13(19)12(6-11)16(20)26)23-17(9)22-15-7-14(24-25-15)10-2-3-10;18-11-4-3-9(5-10(11)15(20)26)16-21-7-12(19)17(23-16)22-14-6-13(24-25-14)8-1-2-8;17-12-8-19-15(10-2-1-3-11(6-10)26(18,24)25)21-16(12)20-14-7-13(22-23-14)9-4-5-9;1-9-8-18-16(12-5-6-14(25-12)26(23,24)17-2)20-15(9)19-13-7-11(21-22-13)10-3-4-10;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;;;;;;/h4-8,10H,2-3H2,1H3,(H2,20,26)(H2,21,22,23,24,25);3-8H,1-2H2,(H2,20,26)(H2,21,22,23,24,25);1-3,6-9H,4-5H2,(H2,18,24,25)(H2,19,20,21,22,23);5-8,10,17H,3-4H2,1-2H3,(H2,18,19,20,21,22);4-7,10,22H,2-3,8H2,1H3,(H2,17,18,19,20,21);6*1H.
What are the key properties of 2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzamide;2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzenesulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;molecular hydrogen?
2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzamide;2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzenesulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;molecular hydrogen has a molecular weight of 1846.02 g/mol, XLogP of 16.79, 26 rotatable bonds, 15 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzamide;2-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]benzamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]benzenesulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]-N-methylthiophene-2-sulfonamide;[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol;molecular hydrogen is sourced from PubChem (CID 160557891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).