N-(2-cyclopropylethyl)-6-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]pyridazine-3-carboxamide

C22H26FN5O3 — CID 11384819

IUPACN-(2-cyclopropylethyl)-6-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]pyridazine-3-carboxamide
SMILESCOc1ccc(F)cc1C(=O)N1CCN(c2ccc(C(=O)NCCC3CC3)nn2)CC1
InChIInChI=1S/C22H26FN5O3/c1-31-19-6-4-16(23)14-17(19)22(30)28-12-10-27(11-13-28)20-7-5-18(25-26-20)21(29)24-9-8-15-2-3-15/h4-7,14-15H,2-3,8-13H2,1H3,(H,24,29)
InChIKeyAHZBLQTUNBWBJD-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.12
Rot. Bonds7

About N-(2-cyclopropylethyl)-6-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]pyridazine-3-carboxamide

N-(2-cyclopropylethyl)-6-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]pyridazine-3-carboxamide (PubChem CID 11384819) has the molecular formula C22H26FN5O3 and a molecular weight of 427.48 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-6-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-6-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]pyridazine-3-carboxamide
PubChem CID11384819
Molecular FormulaC22H26FN5O3
Molecular Weight427.48 g/mol
Exact Mass427.20
IUPAC NameN-(2-cyclopropylethyl)-6-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]pyridazine-3-carboxamide
SMILESCOc1ccc(F)cc1C(=O)N1CCN(c2ccc(C(=O)NCCC3CC3)nn2)CC1
InChIInChI=1S/C22H26FN5O3/c1-31-19-6-4-16(23)14-17(19)22(30)28-12-10-27(11-13-28)20-7-5-18(25-26-20)21(29)24-9-8-15-2-3-15/h4-7,14-15H,2-3,8-13H2,1H3,(H,24,29)
InChIKeyAHZBLQTUNBWBJD-UHFFFAOYSA-N
XLogP2.12
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-6-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-(2-cyclopropylethyl)-6-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]pyridazine-3-carboxamide (CID 11384819) is N-(2-cyclopropylethyl)-6-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-6-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyclopropylethyl)-6-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]pyridazine-3-carboxamide is COc1ccc(F)cc1C(=O)N1CCN(c2ccc(C(=O)NCCC3CC3)nn2)CC1.
What is the InChIKey of N-(2-cyclopropylethyl)-6-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]pyridazine-3-carboxamide?
The InChIKey is AHZBLQTUNBWBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O3/c1-31-19-6-4-16(23)14-17(19)22(30)28-12-10-27(11-13-28)20-7-5-18(25-26-20)21(29)24-9-8-15-2-3-15/h4-7,14-15H,2-3,8-13H2,1H3,(H,24,29).
What are the key properties of N-(2-cyclopropylethyl)-6-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]pyridazine-3-carboxamide?
N-(2-cyclopropylethyl)-6-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]pyridazine-3-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-6-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 11384819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).