4-chloro-1-methyl-3-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]indazole

C17H20ClN5 — CID 70774818

IUPAC4-chloro-1-methyl-3-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]indazole
SMILESCN1CCCC(n2ccnc2-c2nn(C)c3cccc(Cl)c23)C1
InChIInChI=1S/C17H20ClN5/c1-21-9-4-5-12(11-21)23-10-8-19-17(23)16-15-13(18)6-3-7-14(15)22(2)20-16/h3,6-8,10,12H,4-5,9,11H2,1-2H3
InChIKeyFJYOYRQONAHLGU-UHFFFAOYSA-N
MW329.84 g/mol
LogP3.36
Rot. Bonds2

About 4-chloro-1-methyl-3-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]indazole

4-chloro-1-methyl-3-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]indazole (PubChem CID 70774818) has the molecular formula C17H20ClN5 and a molecular weight of 329.84 g/mol. Its IUPAC name is 4-chloro-1-methyl-3-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]indazole.

Molecular Properties

Compound Name4-chloro-1-methyl-3-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]indazole
PubChem CID70774818
Molecular FormulaC17H20ClN5
Molecular Weight329.84 g/mol
Exact Mass329.14
IUPAC Name4-chloro-1-methyl-3-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]indazole
SMILESCN1CCCC(n2ccnc2-c2nn(C)c3cccc(Cl)c23)C1
InChIInChI=1S/C17H20ClN5/c1-21-9-4-5-12(11-21)23-10-8-19-17(23)16-15-13(18)6-3-7-14(15)22(2)20-16/h3,6-8,10,12H,4-5,9,11H2,1-2H3
InChIKeyFJYOYRQONAHLGU-UHFFFAOYSA-N
XLogP3.36
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.84
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S,3R)-3-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]cyclohexyl]methanamine
CID 155508699
(3R)-3-[[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide
CID 95558582
3-[2-(3-methoxyphenyl)imidazol-1-yl]-1-methylpiperidine
CID 154817064
3-[2-(2H-chromen-3-yl)imidazol-1-yl]-1-methylpiperidine
CID 154565849
1-(1-methylpiperidin-3-yl)imidazole-2-carbonitrile
CID 84732982
1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543201
5-[2-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 70720296
2-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine
CID 70753087
2-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]sulfanylacetic acid
CID 61221455
(4R)-4-[[(4-chloro-1-methylindazol-3-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 99927619
1-cyclobutyl-2-(1-methylpyrazol-3-yl)imidazole
CID 155911708
4-[2-(2,6-dichlorophenyl)imidazol-1-yl]cyclohexane-1-carboxylic acid
CID 166619085

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-3-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]indazole?
The IUPAC name of 4-chloro-1-methyl-3-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]indazole (CID 70774818) is 4-chloro-1-methyl-3-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]indazole.
What is the SMILES notation for 4-chloro-1-methyl-3-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]indazole?
The canonical SMILES for 4-chloro-1-methyl-3-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]indazole is CN1CCCC(n2ccnc2-c2nn(C)c3cccc(Cl)c23)C1.
What is the InChIKey of 4-chloro-1-methyl-3-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]indazole?
The InChIKey is FJYOYRQONAHLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5/c1-21-9-4-5-12(11-21)23-10-8-19-17(23)16-15-13(18)6-3-7-14(15)22(2)20-16/h3,6-8,10,12H,4-5,9,11H2,1-2H3.
What are the key properties of 4-chloro-1-methyl-3-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]indazole?
4-chloro-1-methyl-3-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]indazole has a molecular weight of 329.84 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-3-[1-(1-methylpiperidin-3-yl)imidazol-2-yl]indazole is sourced from PubChem (CID 70774818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).