tert-butyl 3-[1-(1-methyl-3-pyridin-4-ylindazol-5-yl)pyrazol-3-yl]piperidine-1-carboxylate;1-methyl-5-(3-piperidin-3-ylpyrazol-1-yl)-3-pyridin-4-ylindazole

C47H52N12O2 — CID 159930828

IUPACtert-butyl 3-[1-(1-methyl-3-pyridin-4-ylindazol-5-yl)pyrazol-3-yl]piperidine-1-carboxylate;1-methyl-5-(3-piperidin-3-ylpyrazol-1-yl)-3-pyridin-4-ylindazole
SMILESCn1nc(-c2ccncc2)c2cc(-n3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)n3)ccc21.Cn1nc(-c2ccncc2)c2cc(-n3ccc(C4CCCNC4)n3)ccc21
InChIInChI=1S/C26H30N6O2.C21H22N6/c1-26(2,3)34-25(33)31-14-5-6-19(17-31)22-11-15-32(28-22)20-7-8-23-21(16-20)24(29-30(23)4)18-9-12-27-13-10-18;1-26-20-5-4-17(13-18(20)21(25-26)15-6-10-22-11-7-15)27-12-8-19(24-27)16-3-2-9-23-14-16/h7-13,15-16,19H,5-6,14,17H2,1-4H3;4-8,10-13,16,23H,2-3,9,14H2,1H3
InChIKeyNZPQQOPJSKTTAS-UHFFFAOYSA-N
MW817.02 g/mol
LogP8.22
Rot. Bonds6

About tert-butyl 3-[1-(1-methyl-3-pyridin-4-ylindazol-5-yl)pyrazol-3-yl]piperidine-1-carboxylate;1-methyl-5-(3-piperidin-3-ylpyrazol-1-yl)-3-pyridin-4-ylindazole

tert-butyl 3-[1-(1-methyl-3-pyridin-4-ylindazol-5-yl)pyrazol-3-yl]piperidine-1-carboxylate;1-methyl-5-(3-piperidin-3-ylpyrazol-1-yl)-3-pyridin-4-ylindazole (PubChem CID 159930828) has the molecular formula C47H52N12O2 and a molecular weight of 817.02 g/mol. Its IUPAC name is tert-butyl 3-[1-(1-methyl-3-pyridin-4-ylindazol-5-yl)pyrazol-3-yl]piperidine-1-carboxylate;1-methyl-5-(3-piperidin-3-ylpyrazol-1-yl)-3-pyridin-4-ylindazole.

Molecular Properties

Compound Nametert-butyl 3-[1-(1-methyl-3-pyridin-4-ylindazol-5-yl)pyrazol-3-yl]piperidine-1-carboxylate;1-methyl-5-(3-piperidin-3-ylpyrazol-1-yl)-3-pyridin-4-ylindazole
PubChem CID159930828
Molecular FormulaC47H52N12O2
Molecular Weight817.02 g/mol
Exact Mass816.43
IUPAC Nametert-butyl 3-[1-(1-methyl-3-pyridin-4-ylindazol-5-yl)pyrazol-3-yl]piperidine-1-carboxylate;1-methyl-5-(3-piperidin-3-ylpyrazol-1-yl)-3-pyridin-4-ylindazole
SMILESCn1nc(-c2ccncc2)c2cc(-n3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)n3)ccc21.Cn1nc(-c2ccncc2)c2cc(-n3ccc(C4CCCNC4)n3)ccc21
InChIInChI=1S/C26H30N6O2.C21H22N6/c1-26(2,3)34-25(33)31-14-5-6-19(17-31)22-11-15-32(28-22)20-7-8-23-21(16-20)24(29-30(23)4)18-9-12-27-13-10-18;1-26-20-5-4-17(13-18(20)21(25-26)15-6-10-22-11-7-15)27-12-8-19(24-27)16-3-2-9-23-14-16/h7-13,15-16,19H,5-6,14,17H2,1-4H3;4-8,10-13,16,23H,2-3,9,14H2,1H3
InChIKeyNZPQQOPJSKTTAS-UHFFFAOYSA-N
XLogP8.22
TPSA138.63 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500817.02
LogP ≤ 58.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze tert-butyl 3-[1-(1-methyl-3-pyridin-4-ylindazol-5-yl)pyrazol-3-yl]piperidine-1-carboxylate;1-methyl-5-(3-piperidin-3-ylpyrazol-1-yl)-3-pyridin-4-ylindazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1-tritylindazol-5-yl]carbamate
CID 68930232
tert-butyl N-[7-fluoro-3-(2-pyridin-3-ylethenyl)-1-tritylindazol-5-yl]carbamate
CID 68930237
tert-butyl 4-[6-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidine-1-carboxylate
CID 118395458
tert-butyl 4-[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]piperidine-1-carboxylate
CID 118971945
Tert-butyl 4-[6-[4-(1-ethylpyrrolidin-3-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate;6-[4-(1-ethylpyrrolidin-3-yl)phenyl]-4-piperazin-1-ylpyrrolo[1,2-b]pyridazine;2,2,2-trifluoroacetic acid
CID 157871860
2,2-difluoro-N-[(2R,3S)-2-phenyl-1-(1-pyridin-4-ylindazol-5-yl)pyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-phenylpyrrolidin-3-yl]propanamide;5-iodo-1-pyridin-4-ylindazole;methanamine
CID 165016353
tert-butyl 4-[[(3R,4R)-1-(3,3-difluoropropyl)-3-(4-pyrazol-1-ylphenyl)piperidin-4-yl]methyl]-5,7-dimethylindole-1-carboxylate;tert-butyl 5,7-dimethyl-4-[[(3R,4R)-3-(4-pyrazol-1-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]indole-1-carboxylate;ethane
CID 169209671
tert-butyl N-[2-[4-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]carbamate
CID 176896336
Tert-butyl 4-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 176896343
tert-butyl 4-[5-[amino-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1H-indol-5-yl]amino]-1H-indol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 53798415
tert-butyl (3R)-3-[(3-pyridin-4-yl-1-tritylindazol-5-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 57686453
tert-butyl (1S,4S)-5-[4-[4-amino-5-(2-benzylindazol-6-yl)pyrrolo[1,2-c]triazin-7-yl]butyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 58529858

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(1-methyl-3-pyridin-4-ylindazol-5-yl)pyrazol-3-yl]piperidine-1-carboxylate;1-methyl-5-(3-piperidin-3-ylpyrazol-1-yl)-3-pyridin-4-ylindazole?
The IUPAC name of tert-butyl 3-[1-(1-methyl-3-pyridin-4-ylindazol-5-yl)pyrazol-3-yl]piperidine-1-carboxylate;1-methyl-5-(3-piperidin-3-ylpyrazol-1-yl)-3-pyridin-4-ylindazole (CID 159930828) is tert-butyl 3-[1-(1-methyl-3-pyridin-4-ylindazol-5-yl)pyrazol-3-yl]piperidine-1-carboxylate;1-methyl-5-(3-piperidin-3-ylpyrazol-1-yl)-3-pyridin-4-ylindazole.
What is the SMILES notation for tert-butyl 3-[1-(1-methyl-3-pyridin-4-ylindazol-5-yl)pyrazol-3-yl]piperidine-1-carboxylate;1-methyl-5-(3-piperidin-3-ylpyrazol-1-yl)-3-pyridin-4-ylindazole?
The canonical SMILES for tert-butyl 3-[1-(1-methyl-3-pyridin-4-ylindazol-5-yl)pyrazol-3-yl]piperidine-1-carboxylate;1-methyl-5-(3-piperidin-3-ylpyrazol-1-yl)-3-pyridin-4-ylindazole is Cn1nc(-c2ccncc2)c2cc(-n3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)n3)ccc21.Cn1nc(-c2ccncc2)c2cc(-n3ccc(C4CCCNC4)n3)ccc21.
What is the InChIKey of tert-butyl 3-[1-(1-methyl-3-pyridin-4-ylindazol-5-yl)pyrazol-3-yl]piperidine-1-carboxylate;1-methyl-5-(3-piperidin-3-ylpyrazol-1-yl)-3-pyridin-4-ylindazole?
The InChIKey is NZPQQOPJSKTTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2.C21H22N6/c1-26(2,3)34-25(33)31-14-5-6-19(17-31)22-11-15-32(28-22)20-7-8-23-21(16-20)24(29-30(23)4)18-9-12-27-13-10-18;1-26-20-5-4-17(13-18(20)21(25-26)15-6-10-22-11-7-15)27-12-8-19(24-27)16-3-2-9-23-14-16/h7-13,15-16,19H,5-6,14,17H2,1-4H3;4-8,10-13,16,23H,2-3,9,14H2,1H3.
What are the key properties of tert-butyl 3-[1-(1-methyl-3-pyridin-4-ylindazol-5-yl)pyrazol-3-yl]piperidine-1-carboxylate;1-methyl-5-(3-piperidin-3-ylpyrazol-1-yl)-3-pyridin-4-ylindazole?
tert-butyl 3-[1-(1-methyl-3-pyridin-4-ylindazol-5-yl)pyrazol-3-yl]piperidine-1-carboxylate;1-methyl-5-(3-piperidin-3-ylpyrazol-1-yl)-3-pyridin-4-ylindazole has a molecular weight of 817.02 g/mol, XLogP of 8.22, 6 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(1-methyl-3-pyridin-4-ylindazol-5-yl)pyrazol-3-yl]piperidine-1-carboxylate;1-methyl-5-(3-piperidin-3-ylpyrazol-1-yl)-3-pyridin-4-ylindazole is sourced from PubChem (CID 159930828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).