N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[3-(5-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C95H90N36O8S5 — CID 158722231

IUPACN-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[3-(5-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)n1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(-c2ccccn2)n1.COC1CC(n2cc(NC(=O)c3csc(-c4cn[nH]c4)n3)c(-c3ccccn3)n2)C1.COc1ccc(-c2nn(C)cc2NC(=O)c2csc(-c3cn[nH]c3)n2)nc1.O=C(Nc1cn(C2CCC2)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1.O=C(Nc1cn(CCN2CCOCC2)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C21H22N8O2S.C20H19N7O2S.C19H17N7OS.C18H17N7OS.C17H15N7O2S/c30-20(18-14-32-21(26-18)15-11-23-24-12-15)25-17-13-29(6-5-28-7-9-31-10-8-28)27-19(17)16-3-1-2-4-22-16;1-29-14-6-13(7-14)27-10-16(18(26-27)15-4-2-3-5-21-15)24-19(28)17-11-30-20(25-17)12-8-22-23-9-12;27-18(16-11-28-19(24-16)12-8-21-22-9-12)23-15-10-26(13-4-3-5-13)25-17(15)14-6-1-2-7-20-14;1-11(2)25-9-14(16(24-25)13-5-3-4-6-19-13)22-17(26)15-10-27-18(23-15)12-7-20-21-8-12;1-24-8-13(15(23-24)12-4-3-11(26-2)7-18-12)21-16(25)14-9-27-17(22-14)10-5-19-20-6-10/h1-4,11-14H,5-10H2,(H,23,24)(H,25,30);2-5,8-11,13-14H,6-7H2,1H3,(H,22,23)(H,24,28);1-2,6-11,13H,3-5H2,(H,21,22)(H,23,27);3-11H,1-2H3,(H,20,21)(H,22,26);3-9H,1-2H3,(H,19,20)(H,21,25)
InChIKeyIKBDOJJICDBEGK-UHFFFAOYSA-N
MW2024.34 g/mol
LogP15.75
Rot. Bonds28

About N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[3-(5-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[3-(5-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 158722231) has the molecular formula C95H90N36O8S5 and a molecular weight of 2024.34 g/mol. Its IUPAC name is N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[3-(5-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[3-(5-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID158722231
Molecular FormulaC95H90N36O8S5
Molecular Weight2024.34 g/mol
Exact Mass2022.63
IUPAC NameN-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[3-(5-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)n1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(-c2ccccn2)n1.COC1CC(n2cc(NC(=O)c3csc(-c4cn[nH]c4)n3)c(-c3ccccn3)n2)C1.COc1ccc(-c2nn(C)cc2NC(=O)c2csc(-c3cn[nH]c3)n2)nc1.O=C(Nc1cn(C2CCC2)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1.O=C(Nc1cn(CCN2CCOCC2)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C21H22N8O2S.C20H19N7O2S.C19H17N7OS.C18H17N7OS.C17H15N7O2S/c30-20(18-14-32-21(26-18)15-11-23-24-12-15)25-17-13-29(6-5-28-7-9-31-10-8-28)27-19(17)16-3-1-2-4-22-16;1-29-14-6-13(7-14)27-10-16(18(26-27)15-4-2-3-5-21-15)24-19(28)17-11-30-20(25-17)12-8-22-23-9-12;27-18(16-11-28-19(24-16)12-8-21-22-9-12)23-15-10-26(13-4-3-5-13)25-17(15)14-6-1-2-7-20-14;1-11(2)25-9-14(16(24-25)13-5-3-4-6-19-13)22-17(26)15-10-27-18(23-15)12-7-20-21-8-12;1-24-8-13(15(23-24)12-4-3-11(26-2)7-18-12)21-16(25)14-9-27-17(22-14)10-5-19-20-6-10/h1-4,11-14H,5-10H2,(H,23,24)(H,25,30);2-5,8-11,13-14H,6-7H2,1H3,(H,22,23)(H,24,28);1-2,6-11,13H,3-5H2,(H,21,22)(H,23,27);3-11H,1-2H3,(H,20,21)(H,22,26);3-9H,1-2H3,(H,19,20)(H,21,25)
InChIKeyIKBDOJJICDBEGK-UHFFFAOYSA-N
XLogP15.75
TPSA537.83 Ų
H-Bond Donors10
H-Bond Acceptors39
Rotatable Bonds28
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002024.34
LogP ≤ 515.75
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1039

Analyze N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[3-(5-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[3-(5-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[3-(5-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 158722231) is N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[3-(5-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[3-(5-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[3-(5-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is CC(C)n1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(-c2ccccn2)n1.COC1CC(n2cc(NC(=O)c3csc(-c4cn[nH]c4)n3)c(-c3ccccn3)n2)C1.COc1ccc(-c2nn(C)cc2NC(=O)c2csc(-c3cn[nH]c3)n2)nc1.O=C(Nc1cn(C2CCC2)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1.O=C(Nc1cn(CCN2CCOCC2)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1.
What is the InChIKey of N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[3-(5-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is IKBDOJJICDBEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O2S.C20H19N7O2S.C19H17N7OS.C18H17N7OS.C17H15N7O2S/c30-20(18-14-32-21(26-18)15-11-23-24-12-15)25-17-13-29(6-5-28-7-9-31-10-8-28)27-19(17)16-3-1-2-4-22-16;1-29-14-6-13(7-14)27-10-16(18(26-27)15-4-2-3-5-21-15)24-19(28)17-11-30-20(25-17)12-8-22-23-9-12;27-18(16-11-28-19(24-16)12-8-21-22-9-12)23-15-10-26(13-4-3-5-13)25-17(15)14-6-1-2-7-20-14;1-11(2)25-9-14(16(24-25)13-5-3-4-6-19-13)22-17(26)15-10-27-18(23-15)12-7-20-21-8-12;1-24-8-13(15(23-24)12-4-3-11(26-2)7-18-12)21-16(25)14-9-27-17(22-14)10-5-19-20-6-10/h1-4,11-14H,5-10H2,(H,23,24)(H,25,30);2-5,8-11,13-14H,6-7H2,1H3,(H,22,23)(H,24,28);1-2,6-11,13H,3-5H2,(H,21,22)(H,23,27);3-11H,1-2H3,(H,20,21)(H,22,26);3-9H,1-2H3,(H,19,20)(H,21,25).
What are the key properties of N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[3-(5-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[3-(5-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 2024.34 g/mol, XLogP of 15.75, 28 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[3-(5-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158722231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).