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

C19H21ClN4 — CID 56908884

IUPAC4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indazole
SMILESCn1nc(CN2CCC(c3ccncc3)CC2)c2c(Cl)cccc21
InChIInChI=1S/C19H21ClN4/c1-23-18-4-2-3-16(20)19(18)17(22-23)13-24-11-7-15(8-12-24)14-5-9-21-10-6-14/h2-6,9-10,15H,7-8,11-13H2,1H3
InChIKeyJQIWGKZPPMTPBR-UHFFFAOYSA-N
MW340.86 g/mol
LogP4.00
Rot. Bonds3

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

4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indazole (PubChem CID 56908884) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is 4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indazole.

Molecular Properties

Compound Name4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indazole
PubChem CID56908884
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC Name4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indazole
SMILESCn1nc(CN2CCC(c3ccncc3)CC2)c2c(Cl)cccc21
InChIInChI=1S/C19H21ClN4/c1-23-18-4-2-3-16(20)19(18)17(22-23)13-24-11-7-15(8-12-24)14-5-9-21-10-6-14/h2-6,9-10,15H,7-8,11-13H2,1H3
InChIKeyJQIWGKZPPMTPBR-UHFFFAOYSA-N
XLogP4.00
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indazole?
The IUPAC name of 4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indazole (CID 56908884) is 4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indazole.
What is the SMILES notation for 4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indazole?
The canonical SMILES for 4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indazole is Cn1nc(CN2CCC(c3ccncc3)CC2)c2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indazole?
The InChIKey is JQIWGKZPPMTPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4/c1-23-18-4-2-3-16(20)19(18)17(22-23)13-24-11-7-15(8-12-24)14-5-9-21-10-6-14/h2-6,9-10,15H,7-8,11-13H2,1H3.
What are the key properties of 4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indazole?
4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indazole has a molecular weight of 340.86 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indazole is sourced from PubChem (CID 56908884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).