4-[5-(3-chloro-4-pyridinyl)-6-[4-(1-fluoroethyl)phenyl]pyridazin-3-yl]-N,N-dimethylpiperazine-1-carboxamide

C24H26ClFN6O — CID 71200387

IUPAC4-[5-(3-chloro-4-pyridinyl)-6-[4-(1-fluoroethyl)phenyl]pyridazin-3-yl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCC(F)c1ccc(-c2nnc(N3CCN(C(=O)N(C)C)CC3)cc2-c2ccncc2Cl)cc1
InChIInChI=1S/C24H26ClFN6O/c1-16(26)17-4-6-18(7-5-17)23-20(19-8-9-27-15-21(19)25)14-22(28-29-23)31-10-12-32(13-11-31)24(33)30(2)3/h4-9,14-16H,10-13H2,1-3H3
InChIKeyDAJGQBSWVSXGGV-UHFFFAOYSA-N
MW468.96 g/mol
LogP4.69
Rot. Bonds4

About 4-[5-(3-chloro-4-pyridinyl)-6-[4-(1-fluoroethyl)phenyl]pyridazin-3-yl]-N,N-dimethylpiperazine-1-carboxamide

4-[5-(3-chloro-4-pyridinyl)-6-[4-(1-fluoroethyl)phenyl]pyridazin-3-yl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 71200387) has the molecular formula C24H26ClFN6O and a molecular weight of 468.96 g/mol. Its IUPAC name is 4-[5-(3-chloro-4-pyridinyl)-6-[4-(1-fluoroethyl)phenyl]pyridazin-3-yl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[5-(3-chloro-4-pyridinyl)-6-[4-(1-fluoroethyl)phenyl]pyridazin-3-yl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID71200387
Molecular FormulaC24H26ClFN6O
Molecular Weight468.96 g/mol
Exact Mass468.18
IUPAC Name4-[5-(3-chloro-4-pyridinyl)-6-[4-(1-fluoroethyl)phenyl]pyridazin-3-yl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCC(F)c1ccc(-c2nnc(N3CCN(C(=O)N(C)C)CC3)cc2-c2ccncc2Cl)cc1
InChIInChI=1S/C24H26ClFN6O/c1-16(26)17-4-6-18(7-5-17)23-20(19-8-9-27-15-21(19)25)14-22(28-29-23)31-10-12-32(13-11-31)24(33)30(2)3/h4-9,14-16H,10-13H2,1-3H3
InChIKeyDAJGQBSWVSXGGV-UHFFFAOYSA-N
XLogP4.69
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.96
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-chloro-4-pyridinyl)-6-[4-(1-fluoroethyl)phenyl]pyridazin-3-yl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[5-(3-chloro-4-pyridinyl)-6-[4-(1-fluoroethyl)phenyl]pyridazin-3-yl]-N,N-dimethylpiperazine-1-carboxamide (CID 71200387) is 4-[5-(3-chloro-4-pyridinyl)-6-[4-(1-fluoroethyl)phenyl]pyridazin-3-yl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[5-(3-chloro-4-pyridinyl)-6-[4-(1-fluoroethyl)phenyl]pyridazin-3-yl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[5-(3-chloro-4-pyridinyl)-6-[4-(1-fluoroethyl)phenyl]pyridazin-3-yl]-N,N-dimethylpiperazine-1-carboxamide is CC(F)c1ccc(-c2nnc(N3CCN(C(=O)N(C)C)CC3)cc2-c2ccncc2Cl)cc1.
What is the InChIKey of 4-[5-(3-chloro-4-pyridinyl)-6-[4-(1-fluoroethyl)phenyl]pyridazin-3-yl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is DAJGQBSWVSXGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN6O/c1-16(26)17-4-6-18(7-5-17)23-20(19-8-9-27-15-21(19)25)14-22(28-29-23)31-10-12-32(13-11-31)24(33)30(2)3/h4-9,14-16H,10-13H2,1-3H3.
What are the key properties of 4-[5-(3-chloro-4-pyridinyl)-6-[4-(1-fluoroethyl)phenyl]pyridazin-3-yl]-N,N-dimethylpiperazine-1-carboxamide?
4-[5-(3-chloro-4-pyridinyl)-6-[4-(1-fluoroethyl)phenyl]pyridazin-3-yl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 468.96 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-chloro-4-pyridinyl)-6-[4-(1-fluoroethyl)phenyl]pyridazin-3-yl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 71200387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).