tert-butyl 6-[2-(1,3-dimethylpiperidin-4-yl)indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate

C25H36N4O2 — CID 169113679

IUPACtert-butyl 6-[2-(1,3-dimethylpiperidin-4-yl)indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC1CC=C(c2ccc3cn(C4CCN(C)CC4C)nc3c2)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C25H36N4O2/c1-17-7-10-23(28(14-17)24(30)31-25(3,4)5)19-8-9-20-16-29(26-21(20)13-19)22-11-12-27(6)15-18(22)2/h8-10,13,16-18,22H,7,11-12,14-15H2,1-6H3
InChIKeyCZMXODZHAQVYIX-UHFFFAOYSA-N
MW424.59 g/mol
LogP5.17
Rot. Bonds2

About tert-butyl 6-[2-(1,3-dimethylpiperidin-4-yl)indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate

tert-butyl 6-[2-(1,3-dimethylpiperidin-4-yl)indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 169113679) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is tert-butyl 6-[2-(1,3-dimethylpiperidin-4-yl)indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[2-(1,3-dimethylpiperidin-4-yl)indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID169113679
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC Nametert-butyl 6-[2-(1,3-dimethylpiperidin-4-yl)indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC1CC=C(c2ccc3cn(C4CCN(C)CC4C)nc3c2)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C25H36N4O2/c1-17-7-10-23(28(14-17)24(30)31-25(3,4)5)19-8-9-20-16-29(26-21(20)13-19)22-11-12-27(6)15-18(22)2/h8-10,13,16-18,22H,7,11-12,14-15H2,1-6H3
InChIKeyCZMXODZHAQVYIX-UHFFFAOYSA-N
XLogP5.17
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 6-[2-(1,3-dimethylpiperidin-4-yl)indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (3S)-6-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 176754580
tert-butyl (3S)-3-methyl-6-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 170083473
tert-butyl (3S)-3-methyl-6-[2-(oxolan-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169112231
tert-butyl (3S)-6-[2-[2-(dimethylamino)ethyl]indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169112628
tert-butyl 3-methyl-6-[3-methyl-2-(1-methylpiperidin-4-yl)quinolin-7-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 164751588
tert-butyl 3-methyl-6-(2-methylindazol-5-yl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 171618579
tert-butyl (3S)-3-methyl-6-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 164750948
tert-butyl (3S)-3-methyl-6-quinolin-7-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169114964
tert-butyl 3-methyl-6-(3-methylquinolin-7-yl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169113872
tert-butyl 6-(2-ethylindazol-5-yl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169113974
tert-butyl (3S)-3-methyl-6-[2-(4-methylmorpholin-2-yl)-1,3-benzothiazol-5-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 164751879
tert-butyl 3-methyl-6-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169113338

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[2-(1,3-dimethylpiperidin-4-yl)indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-[2-(1,3-dimethylpiperidin-4-yl)indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate (CID 169113679) is tert-butyl 6-[2-(1,3-dimethylpiperidin-4-yl)indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-[2-(1,3-dimethylpiperidin-4-yl)indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-[2-(1,3-dimethylpiperidin-4-yl)indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate is CC1CC=C(c2ccc3cn(C4CCN(C)CC4C)nc3c2)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-[2-(1,3-dimethylpiperidin-4-yl)indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is CZMXODZHAQVYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2/c1-17-7-10-23(28(14-17)24(30)31-25(3,4)5)19-8-9-20-16-29(26-21(20)13-19)22-11-12-27(6)15-18(22)2/h8-10,13,16-18,22H,7,11-12,14-15H2,1-6H3.
What are the key properties of tert-butyl 6-[2-(1,3-dimethylpiperidin-4-yl)indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 6-[2-(1,3-dimethylpiperidin-4-yl)indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 424.59 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[2-(1,3-dimethylpiperidin-4-yl)indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 169113679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).