4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]indazole

C18H20ClN5 — CID 77096447

IUPAC4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]indazole
SMILESCn1nc(CN2CCN(c3ccncc3)CC2)c2c(Cl)cccc21
InChIInChI=1S/C18H20ClN5/c1-22-17-4-2-3-15(19)18(17)16(21-22)13-23-9-11-24(12-10-23)14-5-7-20-8-6-14/h2-8H,9-13H2,1H3
InChIKeyMKFIWZFRZBKNSK-UHFFFAOYSA-N
MW341.85 g/mol
LogP2.94
Rot. Bonds3

About 4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]indazole

4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]indazole (PubChem CID 77096447) has the molecular formula C18H20ClN5 and a molecular weight of 341.85 g/mol. Its IUPAC name is 4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]indazole.

Molecular Properties

Compound Name4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]indazole
PubChem CID77096447
Molecular FormulaC18H20ClN5
Molecular Weight341.85 g/mol
Exact Mass341.14
IUPAC Name4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]indazole
SMILESCn1nc(CN2CCN(c3ccncc3)CC2)c2c(Cl)cccc21
InChIInChI=1S/C18H20ClN5/c1-22-17-4-2-3-15(19)18(17)16(21-22)13-23-9-11-24(12-10-23)14-5-7-20-8-6-14/h2-8H,9-13H2,1H3
InChIKeyMKFIWZFRZBKNSK-UHFFFAOYSA-N
XLogP2.94
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]indazole?
The IUPAC name of 4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]indazole (CID 77096447) is 4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]indazole.
What is the SMILES notation for 4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]indazole?
The canonical SMILES for 4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]indazole is Cn1nc(CN2CCN(c3ccncc3)CC2)c2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]indazole?
The InChIKey is MKFIWZFRZBKNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5/c1-22-17-4-2-3-15(19)18(17)16(21-22)13-23-9-11-24(12-10-23)14-5-7-20-8-6-14/h2-8H,9-13H2,1H3.
What are the key properties of 4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]indazole?
4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]indazole has a molecular weight of 341.85 g/mol, XLogP of 2.94, 3 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-[(4-pyridin-4-ylpiperazin-1-yl)methyl]indazole is sourced from PubChem (CID 77096447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).