5-tert-butyl-7-chloro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-7-fluoro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-prop-1-en-2-ylindazole;5-tert-butyl-2-phenyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2,7,7-trimethyl-3-propan-2-yl-4,6-dihydropyrazolo[4,3-c]pyridine

C109H165ClFN17 — CID 159825061

IUPAC5-tert-butyl-7-chloro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-7-fluoro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-prop-1-en-2-ylindazole;5-tert-butyl-2-phenyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2,7,7-trimethyl-3-propan-2-yl-4,6-dihydropyrazolo[4,3-c]pyridine
SMILESC=C(C)c1c2cc(C(C)(C)C)ccc2nn1C.CC(C)c1c2c(nn1-c1ccccc1)CCN(C(C)(C)C)C2.CC(C)c1c2c(nn1C)C(C)(C)CN(C(C)(C)C)C2.CC(C)c1c2c(nn1C)CCN(C(C)(C)C)C2.CC(C)c1c2cc(C(C)(C)C)cc(Cl)c2nn1C.CC(C)c1c2cc(C(C)(C)C)cc(F)c2nn1C.CC(C)c1c2cc(C(C)(C)C)ccc2nn1C
InChIInChI=1S/C19H27N3.C16H29N3.C15H21ClN2.C15H21FN2.C15H22N2.C15H20N2.C14H25N3/c1-14(2)18-16-13-21(19(3,4)5)12-11-17(16)20-22(18)15-9-7-6-8-10-15;1-11(2)13-12-9-19(15(3,4)5)10-16(6,7)14(12)17-18(13)8;2*1-9(2)14-11-7-10(15(3,4)5)8-12(16)13(11)17-18(14)6;2*1-10(2)14-12-9-11(15(3,4)5)7-8-13(12)16-17(14)6;1-10(2)13-11-9-17(14(3,4)5)8-7-12(11)15-16(13)6/h6-10,14H,11-13H2,1-5H3;11H,9-10H2,1-8H3;2*7-9H,1-6H3;7-10H,1-6H3;7-9H,1H2,2-6H3;10H,7-9H2,1-6H3
InChIKeyNMSPFHUKRGFPPM-UHFFFAOYSA-N
MW1768.09 g/mol
LogP26.97
Rot. Bonds8

About 5-tert-butyl-7-chloro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-7-fluoro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-prop-1-en-2-ylindazole;5-tert-butyl-2-phenyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2,7,7-trimethyl-3-propan-2-yl-4,6-dihydropyrazolo[4,3-c]pyridine

5-tert-butyl-7-chloro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-7-fluoro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-prop-1-en-2-ylindazole;5-tert-butyl-2-phenyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2,7,7-trimethyl-3-propan-2-yl-4,6-dihydropyrazolo[4,3-c]pyridine (PubChem CID 159825061) has the molecular formula C109H165ClFN17 and a molecular weight of 1768.09 g/mol. Its IUPAC name is 5-tert-butyl-7-chloro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-7-fluoro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-prop-1-en-2-ylindazole;5-tert-butyl-2-phenyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2,7,7-trimethyl-3-propan-2-yl-4,6-dihydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-tert-butyl-7-chloro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-7-fluoro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-prop-1-en-2-ylindazole;5-tert-butyl-2-phenyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2,7,7-trimethyl-3-propan-2-yl-4,6-dihydropyrazolo[4,3-c]pyridine
PubChem CID159825061
Molecular FormulaC109H165ClFN17
Molecular Weight1768.09 g/mol
Exact Mass1766.31
IUPAC Name5-tert-butyl-7-chloro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-7-fluoro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-prop-1-en-2-ylindazole;5-tert-butyl-2-phenyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2,7,7-trimethyl-3-propan-2-yl-4,6-dihydropyrazolo[4,3-c]pyridine
SMILESC=C(C)c1c2cc(C(C)(C)C)ccc2nn1C.CC(C)c1c2c(nn1-c1ccccc1)CCN(C(C)(C)C)C2.CC(C)c1c2c(nn1C)C(C)(C)CN(C(C)(C)C)C2.CC(C)c1c2c(nn1C)CCN(C(C)(C)C)C2.CC(C)c1c2cc(C(C)(C)C)cc(Cl)c2nn1C.CC(C)c1c2cc(C(C)(C)C)cc(F)c2nn1C.CC(C)c1c2cc(C(C)(C)C)ccc2nn1C
InChIInChI=1S/C19H27N3.C16H29N3.C15H21ClN2.C15H21FN2.C15H22N2.C15H20N2.C14H25N3/c1-14(2)18-16-13-21(19(3,4)5)12-11-17(16)20-22(18)15-9-7-6-8-10-15;1-11(2)13-12-9-19(15(3,4)5)10-16(6,7)14(12)17-18(13)8;2*1-9(2)14-11-7-10(15(3,4)5)8-12(16)13(11)17-18(14)6;2*1-10(2)14-12-9-11(15(3,4)5)7-8-13(12)16-17(14)6;1-10(2)13-11-9-17(14(3,4)5)8-7-12(11)15-16(13)6/h6-10,14H,11-13H2,1-5H3;11H,9-10H2,1-8H3;2*7-9H,1-6H3;7-10H,1-6H3;7-9H,1H2,2-6H3;10H,7-9H2,1-6H3
InChIKeyNMSPFHUKRGFPPM-UHFFFAOYSA-N
XLogP26.97
TPSA134.46 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001768.09
LogP ≤ 526.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 5-tert-butyl-7-chloro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-7-fluoro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-prop-1-en-2-ylindazole;5-tert-butyl-2-phenyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2,7,7-trimethyl-3-propan-2-yl-4,6-dihydropyrazolo[4,3-c]pyridine with MolForge

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Related Compounds

1-Chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole
CID 161241234
5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-2-methylidene-1,3-dihydroindole;5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole
CID 158292425
2,8-dimethyl-5-[(Z)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(2-methylpyrazol-3-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indole;5-[(Z)-2-(6-fluoro-3-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 158782258
3-(2-Chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole
CID 158996175
N-(2-chloro-4,6-dimethylphenyl)-1-[1-(pyridin-2-ylmethyl)indazol-3-yl]methanimine;dichlorocobalt;tetrakis(dichloroiron);bis(N-(2,6-dimethylphenyl)-1-[1-(pyridin-2-ylmethyl)indazol-3-yl]methanimine);2-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]indazol-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)-1-phenylethanimine;N-[2,6-di(propan-2-yl)phenyl]-1-[1-(quinolin-2-ylmethyl)indazol-3-yl]methanimine
CID 159299096
3-Tert-butyl-5-chloro-1-methylindazole;3-tert-butyl-5-cyclopropyl-1-methylindazole;3-tert-butyl-4,5-difluoro-1-methylindazole;3-tert-butyl-1,5-dimethylindazole;3-tert-butyl-1,6-dimethylindazole;3-tert-butyl-4-fluoro-1,5-dimethylindazole;3-tert-butyl-5-fluoro-1,6-dimethylindazole
CID 159490348
5-[2-(5-Chloro-2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine;5-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine
CID 159895334

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7-chloro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-7-fluoro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-prop-1-en-2-ylindazole;5-tert-butyl-2-phenyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2,7,7-trimethyl-3-propan-2-yl-4,6-dihydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-tert-butyl-7-chloro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-7-fluoro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-prop-1-en-2-ylindazole;5-tert-butyl-2-phenyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2,7,7-trimethyl-3-propan-2-yl-4,6-dihydropyrazolo[4,3-c]pyridine (CID 159825061) is 5-tert-butyl-7-chloro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-7-fluoro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-prop-1-en-2-ylindazole;5-tert-butyl-2-phenyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2,7,7-trimethyl-3-propan-2-yl-4,6-dihydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-tert-butyl-7-chloro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-7-fluoro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-prop-1-en-2-ylindazole;5-tert-butyl-2-phenyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2,7,7-trimethyl-3-propan-2-yl-4,6-dihydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-tert-butyl-7-chloro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-7-fluoro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-prop-1-en-2-ylindazole;5-tert-butyl-2-phenyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2,7,7-trimethyl-3-propan-2-yl-4,6-dihydropyrazolo[4,3-c]pyridine is C=C(C)c1c2cc(C(C)(C)C)ccc2nn1C.CC(C)c1c2c(nn1-c1ccccc1)CCN(C(C)(C)C)C2.CC(C)c1c2c(nn1C)C(C)(C)CN(C(C)(C)C)C2.CC(C)c1c2c(nn1C)CCN(C(C)(C)C)C2.CC(C)c1c2cc(C(C)(C)C)cc(Cl)c2nn1C.CC(C)c1c2cc(C(C)(C)C)cc(F)c2nn1C.CC(C)c1c2cc(C(C)(C)C)ccc2nn1C.
What is the InChIKey of 5-tert-butyl-7-chloro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-7-fluoro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-prop-1-en-2-ylindazole;5-tert-butyl-2-phenyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2,7,7-trimethyl-3-propan-2-yl-4,6-dihydropyrazolo[4,3-c]pyridine?
The InChIKey is NMSPFHUKRGFPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3.C16H29N3.C15H21ClN2.C15H21FN2.C15H22N2.C15H20N2.C14H25N3/c1-14(2)18-16-13-21(19(3,4)5)12-11-17(16)20-22(18)15-9-7-6-8-10-15;1-11(2)13-12-9-19(15(3,4)5)10-16(6,7)14(12)17-18(13)8;2*1-9(2)14-11-7-10(15(3,4)5)8-12(16)13(11)17-18(14)6;2*1-10(2)14-12-9-11(15(3,4)5)7-8-13(12)16-17(14)6;1-10(2)13-11-9-17(14(3,4)5)8-7-12(11)15-16(13)6/h6-10,14H,11-13H2,1-5H3;11H,9-10H2,1-8H3;2*7-9H,1-6H3;7-10H,1-6H3;7-9H,1H2,2-6H3;10H,7-9H2,1-6H3.
What are the key properties of 5-tert-butyl-7-chloro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-7-fluoro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-prop-1-en-2-ylindazole;5-tert-butyl-2-phenyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2,7,7-trimethyl-3-propan-2-yl-4,6-dihydropyrazolo[4,3-c]pyridine?
5-tert-butyl-7-chloro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-7-fluoro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-prop-1-en-2-ylindazole;5-tert-butyl-2-phenyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2,7,7-trimethyl-3-propan-2-yl-4,6-dihydropyrazolo[4,3-c]pyridine has a molecular weight of 1768.09 g/mol, XLogP of 26.97, 8 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-7-chloro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-7-fluoro-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2-methyl-3-propan-2-ylindazole;5-tert-butyl-2-methyl-3-prop-1-en-2-ylindazole;5-tert-butyl-2-phenyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;5-tert-butyl-2,7,7-trimethyl-3-propan-2-yl-4,6-dihydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 159825061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).