tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;7-deuterio-2-ethyl-N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-amine;7-deuterio-2-ethyl-N-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-amine;2-[(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine

C114H159BrFN27O6S — CID 161003630

IUPACtert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;7-deuterio-2-ethyl-N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-amine;7-deuterio-2-ethyl-N-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-amine;2-[(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine
SMILESC1CCNCC1.CCc1nn2ccc(Br)cc2c1N(C)C(=O)OC(C)(C)C.CCc1nn2ccc(N3CCCCC3)cc2c1N(C)C(=O)OC(C)(C)C.[2H]c1cc(N2CCCCC2)cc2c(N(C)C(=O)OC(C)(C)C)c(CC)nn12.[2H]c1cc(N2CCCCC2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(CC)nn12.[2H]c1cc(N2CCCCC2)cc2c(NC)c(CC)nn12.[2H]c1cc(N2CCNCC2)cc2c(NC)c(CC)nn12
InChIInChI=1S/C25H25FN6S.2C20H30N4O2.C15H20BrN3O2.C15H22N4.C14H21N5.C5H11N/c1-3-20-24(21-15-19(11-14-32(21)29-20)31-12-5-4-6-13-31)30(2)25-28-23(22(16-27)33-25)17-7-9-18(26)10-8-17;2*1-6-16-18(22(5)19(25)26-20(2,3)4)17-14-15(10-13-24(17)21-16)23-11-8-7-9-12-23;1-6-11-13(18(5)14(20)21-15(2,3)4)12-9-10(16)7-8-19(12)17-11;1-3-13-15(16-2)14-11-12(7-10-19(14)17-13)18-8-5-4-6-9-18;1-3-12-14(15-2)13-10-11(4-7-19(13)17-12)18-8-5-16-6-9-18;1-2-4-6-5-3-1/h7-11,14-15H,3-6,12-13H2,1-2H3;2*10,13-14H,6-9,11-12H2,1-5H3;7-9H,6H2,1-5H3;7,10-11,16H,3-6,8-9H2,1-2H3;4,7,10,15-16H,3,5-6,8-9H2,1-2H3;6H,1-5H2/i14D;13D;;;10D;7D;
InChIKeyTWFGDCJGAKRXEP-ANNHCEJZSA-N
MW2138.70 g/mol
LogP23.37
Rot. Bonds19

About tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;7-deuterio-2-ethyl-N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-amine;7-deuterio-2-ethyl-N-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-amine;2-[(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine

tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;7-deuterio-2-ethyl-N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-amine;7-deuterio-2-ethyl-N-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-amine;2-[(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine (PubChem CID 161003630) has the molecular formula C114H159BrFN27O6S and a molecular weight of 2138.70 g/mol. Its IUPAC name is tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;7-deuterio-2-ethyl-N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-amine;7-deuterio-2-ethyl-N-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-amine;2-[(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine.

Molecular Properties

Compound Nametert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;7-deuterio-2-ethyl-N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-amine;7-deuterio-2-ethyl-N-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-amine;2-[(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine
PubChem CID161003630
Molecular FormulaC114H159BrFN27O6S
Molecular Weight2138.70 g/mol
Exact Mass2136.21
IUPAC Nametert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;7-deuterio-2-ethyl-N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-amine;7-deuterio-2-ethyl-N-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-amine;2-[(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine
SMILESC1CCNCC1.CCc1nn2ccc(Br)cc2c1N(C)C(=O)OC(C)(C)C.CCc1nn2ccc(N3CCCCC3)cc2c1N(C)C(=O)OC(C)(C)C.[2H]c1cc(N2CCCCC2)cc2c(N(C)C(=O)OC(C)(C)C)c(CC)nn12.[2H]c1cc(N2CCCCC2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(CC)nn12.[2H]c1cc(N2CCCCC2)cc2c(NC)c(CC)nn12.[2H]c1cc(N2CCNCC2)cc2c(NC)c(CC)nn12
InChIInChI=1S/C25H25FN6S.2C20H30N4O2.C15H20BrN3O2.C15H22N4.C14H21N5.C5H11N/c1-3-20-24(21-15-19(11-14-32(21)29-20)31-12-5-4-6-13-31)30(2)25-28-23(22(16-27)33-25)17-7-9-18(26)10-8-17;2*1-6-16-18(22(5)19(25)26-20(2,3)4)17-14-15(10-13-24(17)21-16)23-11-8-7-9-12-23;1-6-11-13(18(5)14(20)21-15(2,3)4)12-9-10(16)7-8-19(12)17-11;1-3-13-15(16-2)14-11-12(7-10-19(14)17-13)18-8-5-4-6-9-18;1-3-12-14(15-2)13-10-11(4-7-19(13)17-12)18-8-5-16-6-9-18;1-2-4-6-5-3-1/h7-11,14-15H,3-6,12-13H2,1-2H3;2*10,13-14H,6-9,11-12H2,1-5H3;7-9H,6H2,1-5H3;7,10-11,16H,3-6,8-9H2,1-2H3;4,7,10,15-16H,3,5-6,8-9H2,1-2H3;6H,1-5H2/i14D;13D;;;10D;7D;
InChIKeyTWFGDCJGAKRXEP-ANNHCEJZSA-N
XLogP23.37
TPSA296.66 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds19
Heavy Atoms150
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002138.70
LogP ≤ 523.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;7-deuterio-2-ethyl-N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-amine;7-deuterio-2-ethyl-N-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-amine;2-[(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;7-deuterio-2-ethyl-N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-amine;7-deuterio-2-ethyl-N-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-amine;2-[(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine?
The IUPAC name of tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;7-deuterio-2-ethyl-N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-amine;7-deuterio-2-ethyl-N-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-amine;2-[(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine (CID 161003630) is tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;7-deuterio-2-ethyl-N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-amine;7-deuterio-2-ethyl-N-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-amine;2-[(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine.
What is the SMILES notation for tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;7-deuterio-2-ethyl-N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-amine;7-deuterio-2-ethyl-N-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-amine;2-[(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine?
The canonical SMILES for tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;7-deuterio-2-ethyl-N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-amine;7-deuterio-2-ethyl-N-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-amine;2-[(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine is C1CCNCC1.CCc1nn2ccc(Br)cc2c1N(C)C(=O)OC(C)(C)C.CCc1nn2ccc(N3CCCCC3)cc2c1N(C)C(=O)OC(C)(C)C.[2H]c1cc(N2CCCCC2)cc2c(N(C)C(=O)OC(C)(C)C)c(CC)nn12.[2H]c1cc(N2CCCCC2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(CC)nn12.[2H]c1cc(N2CCCCC2)cc2c(NC)c(CC)nn12.[2H]c1cc(N2CCNCC2)cc2c(NC)c(CC)nn12.
What is the InChIKey of tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;7-deuterio-2-ethyl-N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-amine;7-deuterio-2-ethyl-N-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-amine;2-[(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine?
The InChIKey is TWFGDCJGAKRXEP-ANNHCEJZSA-N. The full InChI is InChI=1S/C25H25FN6S.2C20H30N4O2.C15H20BrN3O2.C15H22N4.C14H21N5.C5H11N/c1-3-20-24(21-15-19(11-14-32(21)29-20)31-12-5-4-6-13-31)30(2)25-28-23(22(16-27)33-25)17-7-9-18(26)10-8-17;2*1-6-16-18(22(5)19(25)26-20(2,3)4)17-14-15(10-13-24(17)21-16)23-11-8-7-9-12-23;1-6-11-13(18(5)14(20)21-15(2,3)4)12-9-10(16)7-8-19(12)17-11;1-3-13-15(16-2)14-11-12(7-10-19(14)17-13)18-8-5-4-6-9-18;1-3-12-14(15-2)13-10-11(4-7-19(13)17-12)18-8-5-16-6-9-18;1-2-4-6-5-3-1/h7-11,14-15H,3-6,12-13H2,1-2H3;2*10,13-14H,6-9,11-12H2,1-5H3;7-9H,6H2,1-5H3;7,10-11,16H,3-6,8-9H2,1-2H3;4,7,10,15-16H,3,5-6,8-9H2,1-2H3;6H,1-5H2/i14D;13D;;;10D;7D;.
What are the key properties of tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;7-deuterio-2-ethyl-N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-amine;7-deuterio-2-ethyl-N-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-amine;2-[(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine?
tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;7-deuterio-2-ethyl-N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-amine;7-deuterio-2-ethyl-N-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-amine;2-[(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine has a molecular weight of 2138.70 g/mol, XLogP of 23.37, 19 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;7-deuterio-2-ethyl-N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-amine;7-deuterio-2-ethyl-N-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-amine;2-[(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine is sourced from PubChem (CID 161003630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).