N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[2-(1H-pyrazol-4-yl)ethoxymethyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride

C75H82ClF2N25O10S5 — CID 167541061

IUPACN-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[2-(1H-pyrazol-4-yl)ethoxymethyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride
SMILESCc1cc(-c2cccc3nc(NC(=O)C4CC4)nn23)sc1CN1CCC(F)(F)CC1.Cl.O=C(Nc1nc2cccc(-c3ccc(COCCc4cn[nH]c4)s3)n2n1)C1CC1.O=C(Nc1nc2cccc(-c3nnc(CN4CCS(=O)(=O)CC4)o3)n2n1)C1CC1.O=C(Nc1nc2cccc(-c3nnc(CN4CCS(=O)(=O)CC4)s3)n2n1)C1CC1
InChIInChI=1S/C21H23F2N5OS.C20H20N6O2S.C17H19N7O4S.C17H19N7O3S2.ClH/c1-13-11-16(30-17(13)12-27-9-7-21(22,23)8-10-27)15-3-2-4-18-24-20(26-28(15)18)25-19(29)14-5-6-14;27-19(14-4-5-14)24-20-23-18-3-1-2-16(26(18)25-20)17-7-6-15(29-17)12-28-9-8-13-10-21-22-11-13;2*25-15(11-4-5-11)19-17-18-13-3-1-2-12(24(13)22-17)16-21-20-14(28-16)10-23-6-8-29(26,27)9-7-23;/h2-4,11,14H,5-10,12H2,1H3,(H,25,26,29);1-3,6-7,10-11,14H,4-5,8-9,12H2,(H,21,22)(H,24,25,27);2*1-3,11H,4-10H2,(H,19,22,25);1H
InChIKeyHIYRCCIZUOPFGI-UHFFFAOYSA-N
MW1727.43 g/mol
LogP9.24
Rot. Bonds23

About N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[2-(1H-pyrazol-4-yl)ethoxymethyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride

N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[2-(1H-pyrazol-4-yl)ethoxymethyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride (PubChem CID 167541061) has the molecular formula C75H82ClF2N25O10S5 and a molecular weight of 1727.43 g/mol. Its IUPAC name is N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[2-(1H-pyrazol-4-yl)ethoxymethyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[2-(1H-pyrazol-4-yl)ethoxymethyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride
PubChem CID167541061
Molecular FormulaC75H82ClF2N25O10S5
Molecular Weight1727.43 g/mol
Exact Mass1725.49
IUPAC NameN-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[2-(1H-pyrazol-4-yl)ethoxymethyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride
SMILESCc1cc(-c2cccc3nc(NC(=O)C4CC4)nn23)sc1CN1CCC(F)(F)CC1.Cl.O=C(Nc1nc2cccc(-c3ccc(COCCc4cn[nH]c4)s3)n2n1)C1CC1.O=C(Nc1nc2cccc(-c3nnc(CN4CCS(=O)(=O)CC4)o3)n2n1)C1CC1.O=C(Nc1nc2cccc(-c3nnc(CN4CCS(=O)(=O)CC4)s3)n2n1)C1CC1
InChIInChI=1S/C21H23F2N5OS.C20H20N6O2S.C17H19N7O4S.C17H19N7O3S2.ClH/c1-13-11-16(30-17(13)12-27-9-7-21(22,23)8-10-27)15-3-2-4-18-24-20(26-28(15)18)25-19(29)14-5-6-14;27-19(14-4-5-14)24-20-23-18-3-1-2-16(26(18)25-20)17-7-6-15(29-17)12-28-9-8-13-10-21-22-11-13;2*25-15(11-4-5-11)19-17-18-13-3-1-2-12(24(13)22-17)16-21-20-14(28-16)10-23-6-8-29(26,27)9-7-23;/h2-4,11,14H,5-10,12H2,1H3,(H,25,26,29);1-3,6-7,10-11,14H,4-5,8-9,12H2,(H,21,22)(H,24,25,27);2*1-3,11H,4-10H2,(H,19,22,25);1H
InChIKeyHIYRCCIZUOPFGI-UHFFFAOYSA-N
XLogP9.24
TPSA417.77 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds23
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001727.43
LogP ≤ 59.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[2-(1H-pyrazol-4-yl)ethoxymethyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride with MolForge

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Related Compounds

2-cyclopropyloxy-4-methyl-5-propan-2-ylpyrimidine;1-cyclopropyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-ethyl-4-methyl-5-propan-2-ylpyrimidine;N-methyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)morpholine;N-methyl-5-propan-2-ylpyrimidin-2-amine;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)cyclopropanecarboxamide;N-methyl-N-(5-propan-2-ylpyrimidin-2-yl)oxane-4-carboxamide;1-methyl-5-propan-2-yl-3-thiophen-2-ylpyrazole;1-(2-methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole;N,2,2-trimethyl-N-(4-methyl-5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,2-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)propanamide;N,2,5-trimethyl-N-(5-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxamide
CID 161988532
N-[(1S)-1-cyclopropylethyl]-7-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methyl-1,2-thiazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163664366

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[2-(1H-pyrazol-4-yl)ethoxymethyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[2-(1H-pyrazol-4-yl)ethoxymethyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride (CID 167541061) is N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[2-(1H-pyrazol-4-yl)ethoxymethyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[2-(1H-pyrazol-4-yl)ethoxymethyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[2-(1H-pyrazol-4-yl)ethoxymethyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride is Cc1cc(-c2cccc3nc(NC(=O)C4CC4)nn23)sc1CN1CCC(F)(F)CC1.Cl.O=C(Nc1nc2cccc(-c3ccc(COCCc4cn[nH]c4)s3)n2n1)C1CC1.O=C(Nc1nc2cccc(-c3nnc(CN4CCS(=O)(=O)CC4)o3)n2n1)C1CC1.O=C(Nc1nc2cccc(-c3nnc(CN4CCS(=O)(=O)CC4)s3)n2n1)C1CC1.
What is the InChIKey of N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[2-(1H-pyrazol-4-yl)ethoxymethyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is HIYRCCIZUOPFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5OS.C20H20N6O2S.C17H19N7O4S.C17H19N7O3S2.ClH/c1-13-11-16(30-17(13)12-27-9-7-21(22,23)8-10-27)15-3-2-4-18-24-20(26-28(15)18)25-19(29)14-5-6-14;27-19(14-4-5-14)24-20-23-18-3-1-2-16(26(18)25-20)17-7-6-15(29-17)12-28-9-8-13-10-21-22-11-13;2*25-15(11-4-5-11)19-17-18-13-3-1-2-12(24(13)22-17)16-21-20-14(28-16)10-23-6-8-29(26,27)9-7-23;/h2-4,11,14H,5-10,12H2,1H3,(H,25,26,29);1-3,6-7,10-11,14H,4-5,8-9,12H2,(H,21,22)(H,24,25,27);2*1-3,11H,4-10H2,(H,19,22,25);1H.
What are the key properties of N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[2-(1H-pyrazol-4-yl)ethoxymethyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride?
N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[2-(1H-pyrazol-4-yl)ethoxymethyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 1727.43 g/mol, XLogP of 9.24, 23 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-methylthiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[5-[2-(1H-pyrazol-4-yl)ethoxymethyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 167541061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).