tert-butyl 4-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;[1-(4-chlorophenyl)cyclohexyl]methanol;methane

C64H84BrCl2N15O6 — CID 158030681

IUPACtert-butyl 4-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;[1-(4-chlorophenyl)cyclohexyl]methanol;methane
SMILESC.CC(C)(C)OC(=O)N1CCC(n2cc(Nc3nc4c(Br)cccn4n3)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Nc3nc4c(N5CCC(CO)(c6ccc(Cl)cc6)CC5)cccn4n3)cn2)CC1.OCC1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C31H39ClN8O3.C19H24BrN7O2.C13H17ClO.CH4/c1-30(2,3)43-29(42)38-15-10-25(11-16-38)40-20-24(19-33-40)34-28-35-27-26(5-4-14-39(27)36-28)37-17-12-31(21-41,13-18-37)22-6-8-23(32)9-7-22;1-19(2,3)29-18(28)25-9-6-14(7-10-25)27-12-13(11-21-27)22-17-23-16-15(20)5-4-8-26(16)24-17;14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13;/h4-9,14,19-20,25,41H,10-13,15-18,21H2,1-3H3,(H,34,36);4-5,8,11-12,14H,6-7,9-10H2,1-3H3,(H,22,24);4-7,15H,1-3,8-10H2;1H4
InChIKeyFHDLCQDXIQJEIL-UHFFFAOYSA-N
MW1310.28 g/mol
LogP13.60
Rot. Bonds11

About tert-butyl 4-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;[1-(4-chlorophenyl)cyclohexyl]methanol;methane

tert-butyl 4-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;[1-(4-chlorophenyl)cyclohexyl]methanol;methane (PubChem CID 158030681) has the molecular formula C64H84BrCl2N15O6 and a molecular weight of 1310.28 g/mol. Its IUPAC name is tert-butyl 4-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;[1-(4-chlorophenyl)cyclohexyl]methanol;methane.

Molecular Properties

Compound Nametert-butyl 4-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;[1-(4-chlorophenyl)cyclohexyl]methanol;methane
PubChem CID158030681
Molecular FormulaC64H84BrCl2N15O6
Molecular Weight1310.28 g/mol
Exact Mass1307.53
IUPAC Nametert-butyl 4-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;[1-(4-chlorophenyl)cyclohexyl]methanol;methane
SMILESC.CC(C)(C)OC(=O)N1CCC(n2cc(Nc3nc4c(Br)cccn4n3)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Nc3nc4c(N5CCC(CO)(c6ccc(Cl)cc6)CC5)cccn4n3)cn2)CC1.OCC1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C31H39ClN8O3.C19H24BrN7O2.C13H17ClO.CH4/c1-30(2,3)43-29(42)38-15-10-25(11-16-38)40-20-24(19-33-40)34-28-35-27-26(5-4-14-39(27)36-28)37-17-12-31(21-41,13-18-37)22-6-8-23(32)9-7-22;1-19(2,3)29-18(28)25-9-6-14(7-10-25)27-12-13(11-21-27)22-17-23-16-15(20)5-4-8-26(16)24-17;14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13;/h4-9,14,19-20,25,41H,10-13,15-18,21H2,1-3H3,(H,34,36);4-5,8,11-12,14H,6-7,9-10H2,1-3H3,(H,22,24);4-7,15H,1-3,8-10H2;1H4
InChIKeyFHDLCQDXIQJEIL-UHFFFAOYSA-N
XLogP13.60
TPSA222.86 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001310.28
LogP ≤ 513.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze tert-butyl 4-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;[1-(4-chlorophenyl)cyclohexyl]methanol;methane with MolForge

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Related Compounds

US9873709, Example 1-296
CID 91663285
US9873709, Example 1-290
CID 117941041
US9873709, Example 1-289
CID 117950816
US9873709, Example 1-291
CID 117950819
Tert-butyl 4-[4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;[4-(4-chlorophenyl)-1-[2-[(1-piperidin-4-ylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol;deuterioethane;2,2,2-trifluoroacetaldehyde
CID 161643178
[1-[2-[[1-(1-Benzylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-chlorophenyl)piperidin-4-yl]methanol;formic acid
CID 134362990
[1-[2-[[1-(1-Benzylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-chlorophenyl)piperidin-4-yl]methanol
CID 134362991
Tert-butyl 4-[4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 134363003
[4-(4-Chlorophenyl)-1-[2-[[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol;formic acid
CID 134363006
Tert-butyl 4-[[4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 134363016
[4-(4-Chlorophenyl)-1-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol
CID 134370454
[1-[2-[[1-(1-Benzylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-chlorophenyl)piperidin-4-yl]methyl formate
CID 140308891

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;[1-(4-chlorophenyl)cyclohexyl]methanol;methane?
The IUPAC name of tert-butyl 4-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;[1-(4-chlorophenyl)cyclohexyl]methanol;methane (CID 158030681) is tert-butyl 4-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;[1-(4-chlorophenyl)cyclohexyl]methanol;methane.
What is the SMILES notation for tert-butyl 4-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;[1-(4-chlorophenyl)cyclohexyl]methanol;methane?
The canonical SMILES for tert-butyl 4-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;[1-(4-chlorophenyl)cyclohexyl]methanol;methane is C.CC(C)(C)OC(=O)N1CCC(n2cc(Nc3nc4c(Br)cccn4n3)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Nc3nc4c(N5CCC(CO)(c6ccc(Cl)cc6)CC5)cccn4n3)cn2)CC1.OCC1(c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of tert-butyl 4-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;[1-(4-chlorophenyl)cyclohexyl]methanol;methane?
The InChIKey is FHDLCQDXIQJEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39ClN8O3.C19H24BrN7O2.C13H17ClO.CH4/c1-30(2,3)43-29(42)38-15-10-25(11-16-38)40-20-24(19-33-40)34-28-35-27-26(5-4-14-39(27)36-28)37-17-12-31(21-41,13-18-37)22-6-8-23(32)9-7-22;1-19(2,3)29-18(28)25-9-6-14(7-10-25)27-12-13(11-21-27)22-17-23-16-15(20)5-4-8-26(16)24-17;14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13;/h4-9,14,19-20,25,41H,10-13,15-18,21H2,1-3H3,(H,34,36);4-5,8,11-12,14H,6-7,9-10H2,1-3H3,(H,22,24);4-7,15H,1-3,8-10H2;1H4.
What are the key properties of tert-butyl 4-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;[1-(4-chlorophenyl)cyclohexyl]methanol;methane?
tert-butyl 4-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;[1-(4-chlorophenyl)cyclohexyl]methanol;methane has a molecular weight of 1310.28 g/mol, XLogP of 13.60, 11 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;[1-(4-chlorophenyl)cyclohexyl]methanol;methane is sourced from PubChem (CID 158030681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).