tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride

C57H75ClF3N19O4 — CID 161297169

IUPACtert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride
SMILESCC(C)(C)OC(=O)N1CC=C(c2cccn3nc(N)nc23)CC1.CC(C)CN1CCC(N(C)C(=O)Cn2cc(Nc3nc4c(C5=CCN(C(=O)CCC(F)(F)F)CC5)cccn4n3)cn2)CC1.Cl.Nc1nc2c(C3=CCNCC3)cccn2n1
InChIInChI=1S/C30H40F3N9O2.C16H21N5O2.C11H13N5.ClH/c1-21(2)18-39-13-9-24(10-14-39)38(3)27(44)20-41-19-23(17-34-41)35-29-36-28-25(5-4-12-42(28)37-29)22-7-15-40(16-8-22)26(43)6-11-30(31,32)33;1-16(2,3)23-15(22)20-9-6-11(7-10-20)12-5-4-8-21-13(12)18-14(17)19-21;12-11-14-10-9(2-1-7-16(10)15-11)8-3-5-13-6-4-8;/h4-5,7,12,17,19,21,24H,6,8-11,13-16,18,20H2,1-3H3,(H,35,37);4-6,8H,7,9-10H2,1-3H3,(H2,17,19);1-3,7,13H,4-6H2,(H2,12,15);1H
InChIKeyHPVZPPBVYUCXJT-UHFFFAOYSA-N
MW1182.80 g/mol
LogP7.65
Rot. Bonds12

About tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride

tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride (PubChem CID 161297169) has the molecular formula C57H75ClF3N19O4 and a molecular weight of 1182.80 g/mol. Its IUPAC name is tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride
PubChem CID161297169
Molecular FormulaC57H75ClF3N19O4
Molecular Weight1182.80 g/mol
Exact Mass1181.59
IUPAC Nametert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride
SMILESCC(C)(C)OC(=O)N1CC=C(c2cccn3nc(N)nc23)CC1.CC(C)CN1CCC(N(C)C(=O)Cn2cc(Nc3nc4c(C5=CCN(C(=O)CCC(F)(F)F)CC5)cccn4n3)cn2)CC1.Cl.Nc1nc2c(C3=CCNCC3)cccn2n1
InChIInChI=1S/C30H40F3N9O2.C16H21N5O2.C11H13N5.ClH/c1-21(2)18-39-13-9-24(10-14-39)38(3)27(44)20-41-19-23(17-34-41)35-29-36-28-25(5-4-12-42(28)37-29)22-7-15-40(16-8-22)26(43)6-11-30(31,32)33;1-16(2,3)23-15(22)20-9-6-11(7-10-20)12-5-4-8-21-13(12)18-14(17)19-21;12-11-14-10-9(2-1-7-16(10)15-11)8-3-5-13-6-4-8;/h4-5,7,12,17,19,21,24H,6,8-11,13-16,18,20H2,1-3H3,(H,35,37);4-6,8H,7,9-10H2,1-3H3,(H2,17,19);1-3,7,13H,4-6H2,(H2,12,15);1H
InChIKeyHPVZPPBVYUCXJT-UHFFFAOYSA-N
XLogP7.65
TPSA257.89 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001182.80
LogP ≤ 57.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride with MolForge

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Related Compounds

US10189836, Example 2
CID 129246860
US10189836, Example 13
CID 129247169
US10189836, Example 97
CID 129269431
US10189836, Example 103
CID 129269442
US10189836, Example 105
CID 129269443
US10189836, Example 59
CID 129269536
US10189836, Example 91
CID 129269556
1-(4-Methylpiperazin-1-yl)-2-[4-[[8-[9-[3-(trifluoromethyl) cyclobutanecarbonyl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]-[1,2,4]triazolo[1,5-a] pyridin-2-yl]amino]pyrazol-1-yl]ethanone
CID 129269790
US10189836, Example 66
CID 129269791
US10189836, Example 79
CID 129269795
US10189836, Example 81
CID 129269797
US10189836, Example 121
CID 129269802

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride?
The IUPAC name of tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride (CID 161297169) is tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride.
What is the SMILES notation for tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride?
The canonical SMILES for tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride is CC(C)(C)OC(=O)N1CC=C(c2cccn3nc(N)nc23)CC1.CC(C)CN1CCC(N(C)C(=O)Cn2cc(Nc3nc4c(C5=CCN(C(=O)CCC(F)(F)F)CC5)cccn4n3)cn2)CC1.Cl.Nc1nc2c(C3=CCNCC3)cccn2n1.
What is the InChIKey of tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride?
The InChIKey is HPVZPPBVYUCXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40F3N9O2.C16H21N5O2.C11H13N5.ClH/c1-21(2)18-39-13-9-24(10-14-39)38(3)27(44)20-41-19-23(17-34-41)35-29-36-28-25(5-4-12-42(28)37-29)22-7-15-40(16-8-22)26(43)6-11-30(31,32)33;1-16(2,3)23-15(22)20-9-6-11(7-10-20)12-5-4-8-21-13(12)18-14(17)19-21;12-11-14-10-9(2-1-7-16(10)15-11)8-3-5-13-6-4-8;/h4-5,7,12,17,19,21,24H,6,8-11,13-16,18,20H2,1-3H3,(H,35,37);4-6,8H,7,9-10H2,1-3H3,(H2,17,19);1-3,7,13H,4-6H2,(H2,12,15);1H.
What are the key properties of tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride?
tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride has a molecular weight of 1182.80 g/mol, XLogP of 7.65, 12 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride is sourced from PubChem (CID 161297169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).