methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate

C22H26N6O3 — CID 142573524

IUPACmethyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2ncc(-c3ccc4cn(C5CCN(C)C5=O)nc4c3)[nH]2)CC1
InChIInChI=1S/C22H26N6O3/c1-26-8-7-19(21(26)29)28-13-16-4-3-15(11-17(16)25-28)18-12-23-20(24-18)14-5-9-27(10-6-14)22(30)31-2/h3-4,11-14,19H,5-10H2,1-2H3,(H,23,24)
InChIKeyXBXLQPBZOHDSAN-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.78
Rot. Bonds3

About methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate

methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate (PubChem CID 142573524) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate
PubChem CID142573524
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Namemethyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2ncc(-c3ccc4cn(C5CCN(C)C5=O)nc4c3)[nH]2)CC1
InChIInChI=1S/C22H26N6O3/c1-26-8-7-19(21(26)29)28-13-16-4-3-15(11-17(16)25-28)18-12-23-20(24-18)14-5-9-27(10-6-14)22(30)31-2/h3-4,11-14,19H,5-10H2,1-2H3,(H,23,24)
InChIKeyXBXLQPBZOHDSAN-UHFFFAOYSA-N
XLogP2.78
TPSA96.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439707
tert-butyl 4-(5-pyridin-4-yl-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 146167371
methyl 7-amino-2-(2-cyclopropylindazol-6-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
CID 153498799
tert-butyl (2S)-2-[5-[6-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]-3-pyridinyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 58316300
tert-butyl 4-[3-[2-(1-acetylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134477535
4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-oxopiperazine-1-carboxylic acid
CID 135151525
[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 51128398
benzyl 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine-1-carboxylate
CID 155796420
4-(2-cyclobutyl-1H-imidazol-5-yl)benzene-1,2-diol
CID 115037686
tert-butyl 2-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 70831233
methyl N-[2-[2-[5-[6-[4-[2-[1-[2-(methylamino)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 134270190
[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone
CID 95148860

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate (CID 142573524) is methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate is COC(=O)N1CCC(c2ncc(-c3ccc4cn(C5CCN(C)C5=O)nc4c3)[nH]2)CC1.
What is the InChIKey of methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate?
The InChIKey is XBXLQPBZOHDSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-26-8-7-19(21(26)29)28-13-16-4-3-15(11-17(16)25-28)18-12-23-20(24-18)14-5-9-27(10-6-14)22(30)31-2/h3-4,11-14,19H,5-10H2,1-2H3,(H,23,24).
What are the key properties of methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate?
methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate has a molecular weight of 422.49 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 142573524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).