1-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)indazole

C18H19ClN4 — CID 15117077

IUPAC1-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)indazole
SMILESCN1CCN(c2nn(-c3ccccc3Cl)c3ccccc23)CC1
InChIInChI=1S/C18H19ClN4/c1-21-10-12-22(13-11-21)18-14-6-2-4-8-16(14)23(20-18)17-9-5-3-7-15(17)19/h2-9H,10-13H2,1H3
InChIKeyBAWRHDPEPJEGGH-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.43
Rot. Bonds2

About 1-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)indazole

1-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)indazole (PubChem CID 15117077) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)indazole.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)indazole
PubChem CID15117077
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC Name1-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)indazole
SMILESCN1CCN(c2nn(-c3ccccc3Cl)c3ccccc23)CC1
InChIInChI=1S/C18H19ClN4/c1-21-10-12-22(13-11-21)18-14-6-2-4-8-16(14)23(20-18)17-9-5-3-7-15(17)19/h2-9H,10-13H2,1H3
InChIKeyBAWRHDPEPJEGGH-UHFFFAOYSA-N
XLogP3.43
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-3-piperidin-4-ylindazole
CID 14032597
1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine
CID 171335865
4-[1-(4-fluorophenyl)indazol-3-yl]piperazine-1-carboxylic acid
CID 19887075
(Z)-1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine
CID 9058597
8-chloro-4-(4-methylpiperazin-1-yl)cinnoline
CID 20922963
7-chloro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole
CID 11523308
3-(4-methylpiperazin-1-yl)-1,2-benzoxazole
CID 21029567
1-(4-methylpiperazin-1-yl)isoquinoline
CID 4687476
3-(2-chlorophenyl)-8-(4-methylpiperazin-1-yl)-2-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-one
CID 139668286
2-(2-chlorophenyl)-4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42667891
3-chloro-6-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
CID 67625625
2-(2-chlorophenyl)-4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42668625

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)indazole?
The IUPAC name of 1-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)indazole (CID 15117077) is 1-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)indazole.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)indazole?
The canonical SMILES for 1-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)indazole is CN1CCN(c2nn(-c3ccccc3Cl)c3ccccc23)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)indazole?
The InChIKey is BAWRHDPEPJEGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4/c1-21-10-12-22(13-11-21)18-14-6-2-4-8-16(14)23(20-18)17-9-5-3-7-15(17)19/h2-9H,10-13H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)indazole?
1-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)indazole has a molecular weight of 326.83 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)indazole is sourced from PubChem (CID 15117077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).