[4-(8-chloropyrido[2,3-d]pyridazin-5-yl)-3-methylpiperazin-1-yl]-phenylmethanone

C19H18ClN5O — CID 76585158

IUPAC[4-(8-chloropyrido[2,3-d]pyridazin-5-yl)-3-methylpiperazin-1-yl]-phenylmethanone
SMILESCC1CN(C(=O)c2ccccc2)CCN1c1nnc(Cl)c2ncccc12
InChIInChI=1S/C19H18ClN5O/c1-13-12-24(19(26)14-6-3-2-4-7-14)10-11-25(13)18-15-8-5-9-21-16(15)17(20)22-23-18/h2-9,13H,10-12H2,1H3
InChIKeyAZNOTTMEXODPHY-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.03
Rot. Bonds2

About [4-(8-chloropyrido[2,3-d]pyridazin-5-yl)-3-methylpiperazin-1-yl]-phenylmethanone

[4-(8-chloropyrido[2,3-d]pyridazin-5-yl)-3-methylpiperazin-1-yl]-phenylmethanone (PubChem CID 76585158) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is [4-(8-chloropyrido[2,3-d]pyridazin-5-yl)-3-methylpiperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(8-chloropyrido[2,3-d]pyridazin-5-yl)-3-methylpiperazin-1-yl]-phenylmethanone
PubChem CID76585158
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name[4-(8-chloropyrido[2,3-d]pyridazin-5-yl)-3-methylpiperazin-1-yl]-phenylmethanone
SMILESCC1CN(C(=O)c2ccccc2)CCN1c1nnc(Cl)c2ncccc12
InChIInChI=1S/C19H18ClN5O/c1-13-12-24(19(26)14-6-3-2-4-7-14)10-11-25(13)18-15-8-5-9-21-16(15)17(20)22-23-18/h2-9,13H,10-12H2,1H3
InChIKeyAZNOTTMEXODPHY-UHFFFAOYSA-N
XLogP3.03
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(8-chloropyrido[2,3-d]pyridazin-5-yl)-3-methylpiperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(8-chloropyrido[2,3-d]pyridazin-5-yl)-3-methylpiperazin-1-yl]-phenylmethanone (CID 76585158) is [4-(8-chloropyrido[2,3-d]pyridazin-5-yl)-3-methylpiperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(8-chloropyrido[2,3-d]pyridazin-5-yl)-3-methylpiperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(8-chloropyrido[2,3-d]pyridazin-5-yl)-3-methylpiperazin-1-yl]-phenylmethanone is CC1CN(C(=O)c2ccccc2)CCN1c1nnc(Cl)c2ncccc12.
What is the InChIKey of [4-(8-chloropyrido[2,3-d]pyridazin-5-yl)-3-methylpiperazin-1-yl]-phenylmethanone?
The InChIKey is AZNOTTMEXODPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-13-12-24(19(26)14-6-3-2-4-7-14)10-11-25(13)18-15-8-5-9-21-16(15)17(20)22-23-18/h2-9,13H,10-12H2,1H3.
What are the key properties of [4-(8-chloropyrido[2,3-d]pyridazin-5-yl)-3-methylpiperazin-1-yl]-phenylmethanone?
[4-(8-chloropyrido[2,3-d]pyridazin-5-yl)-3-methylpiperazin-1-yl]-phenylmethanone has a molecular weight of 367.84 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-chloropyrido[2,3-d]pyridazin-5-yl)-3-methylpiperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 76585158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).