4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-[2-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,3-thiazol-4-yl]pyridine-2-carboxamide;ethane;1,1,1-trifluoropropane

C26H34F3N9O2S — CID 144654520

IUPAC4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-[2-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,3-thiazol-4-yl]pyridine-2-carboxamide;ethane;1,1,1-trifluoropropane
SMILESCC.CCC(F)(F)F.O=C(NC1=CSC(c2ncn[nH]2)N1)c1cc(-n2cnc(C3CC3)c2)c(N2CCOCC2)cn1
InChIInChI=1S/C21H23N9O2S.C3H5F3.C2H6/c31-20(26-18-10-33-21(27-18)19-23-11-25-28-19)14-7-16(30-9-15(24-12-30)13-1-2-13)17(8-22-14)29-3-5-32-6-4-29;1-2-3(4,5)6;1-2/h7-13,21,27H,1-6H2,(H,26,31)(H,23,25,28);2H2,1H3;1-2H3
InChIKeyHCFRMEGDHCLHFQ-UHFFFAOYSA-N
MW593.68 g/mol
LogP4.65
Rot. Bonds6

About 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-[2-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,3-thiazol-4-yl]pyridine-2-carboxamide;ethane;1,1,1-trifluoropropane

4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-[2-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,3-thiazol-4-yl]pyridine-2-carboxamide;ethane;1,1,1-trifluoropropane (PubChem CID 144654520) has the molecular formula C26H34F3N9O2S and a molecular weight of 593.68 g/mol. Its IUPAC name is 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-[2-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,3-thiazol-4-yl]pyridine-2-carboxamide;ethane;1,1,1-trifluoropropane.

Molecular Properties

Compound Name4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-[2-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,3-thiazol-4-yl]pyridine-2-carboxamide;ethane;1,1,1-trifluoropropane
PubChem CID144654520
Molecular FormulaC26H34F3N9O2S
Molecular Weight593.68 g/mol
Exact Mass593.25
IUPAC Name4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-[2-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,3-thiazol-4-yl]pyridine-2-carboxamide;ethane;1,1,1-trifluoropropane
SMILESCC.CCC(F)(F)F.O=C(NC1=CSC(c2ncn[nH]2)N1)c1cc(-n2cnc(C3CC3)c2)c(N2CCOCC2)cn1
InChIInChI=1S/C21H23N9O2S.C3H5F3.C2H6/c31-20(26-18-10-33-21(27-18)19-23-11-25-28-19)14-7-16(30-9-15(24-12-30)13-1-2-13)17(8-22-14)29-3-5-32-6-4-29;1-2-3(4,5)6;1-2/h7-13,21,27H,1-6H2,(H,26,31)(H,23,25,28);2H2,1H3;1-2H3
InChIKeyHCFRMEGDHCLHFQ-UHFFFAOYSA-N
XLogP4.65
TPSA125.88 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.68
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-[2-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,3-thiazol-4-yl]pyridine-2-carboxamide;ethane;1,1,1-trifluoropropane with MolForge

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Related Compounds

4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-spiro[6H-[1,2,4]triazolo[4,3-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylpyridine-2-carboxamide
CID 139581294
4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-(5H-tetrazolo[1,5-c][1,3]benzoxazin-7-yl)pyridine-2-carboxamide
CID 159587221
4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-spiro[6H-[1,2,4]triazolo[4,3-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylpyridine-2-carboxamide;methane
CID 158072200
4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-[4-(3,3,3-trifluoro-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
CID 123950153
4-(4-cyclopropylimidazol-1-yl)-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
CID 118159051
methyl 4-(4-cyclopropylimidazol-1-yl)-5-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylate
CID 162517357
4-(4-cyclopropylimidazol-1-yl)-5-(3-methoxypyrrolidin-1-yl)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
CID 118159061
4-(4-cyclopropylimidazol-1-yl)-5-[4-(cyclopropylmethyl)piperazin-1-yl]-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide
CID 118159091
4-[4-bromo-2-(4-cyclopropylimidazol-1-yl)-5-fluorophenyl]morpholine
CID 148778768
4-(4-cyclopropylimidazol-1-yl)-5-(4-methylpiperidin-1-yl)-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide
CID 140945194
4-(4-cyclopropylimidazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
CID 70802176
4-(4-cyclopropylimidazol-1-yl)-2-methylthiophene-3-carboxylic acid
CID 175854636

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-[2-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,3-thiazol-4-yl]pyridine-2-carboxamide;ethane;1,1,1-trifluoropropane?
The IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-[2-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,3-thiazol-4-yl]pyridine-2-carboxamide;ethane;1,1,1-trifluoropropane (CID 144654520) is 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-[2-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,3-thiazol-4-yl]pyridine-2-carboxamide;ethane;1,1,1-trifluoropropane.
What is the SMILES notation for 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-[2-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,3-thiazol-4-yl]pyridine-2-carboxamide;ethane;1,1,1-trifluoropropane?
The canonical SMILES for 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-[2-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,3-thiazol-4-yl]pyridine-2-carboxamide;ethane;1,1,1-trifluoropropane is CC.CCC(F)(F)F.O=C(NC1=CSC(c2ncn[nH]2)N1)c1cc(-n2cnc(C3CC3)c2)c(N2CCOCC2)cn1.
What is the InChIKey of 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-[2-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,3-thiazol-4-yl]pyridine-2-carboxamide;ethane;1,1,1-trifluoropropane?
The InChIKey is HCFRMEGDHCLHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N9O2S.C3H5F3.C2H6/c31-20(26-18-10-33-21(27-18)19-23-11-25-28-19)14-7-16(30-9-15(24-12-30)13-1-2-13)17(8-22-14)29-3-5-32-6-4-29;1-2-3(4,5)6;1-2/h7-13,21,27H,1-6H2,(H,26,31)(H,23,25,28);2H2,1H3;1-2H3.
What are the key properties of 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-[2-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,3-thiazol-4-yl]pyridine-2-carboxamide;ethane;1,1,1-trifluoropropane?
4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-[2-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,3-thiazol-4-yl]pyridine-2-carboxamide;ethane;1,1,1-trifluoropropane has a molecular weight of 593.68 g/mol, XLogP of 4.65, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-yl-N-[2-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,3-thiazol-4-yl]pyridine-2-carboxamide;ethane;1,1,1-trifluoropropane is sourced from PubChem (CID 144654520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).