4-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one

C22H24FN5O2 — CID 122279476

IUPAC4-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2cccc(F)c2)C1)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C22H24FN5O2/c23-17-2-1-3-18(13-17)28-14-16(12-21(28)29)22(30)27-10-8-26(9-11-27)20-7-6-19(24-25-20)15-4-5-15/h1-3,6-7,13,15-16H,4-5,8-12,14H2
InChIKeyFJYWPBAVLSJQHX-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.19
Rot. Bonds4

About 4-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one

4-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one (PubChem CID 122279476) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 4-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
PubChem CID122279476
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name4-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2cccc(F)c2)C1)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C22H24FN5O2/c23-17-2-1-3-18(13-17)28-14-16(12-21(28)29)22(30)27-10-8-26(9-11-27)20-7-6-19(24-25-20)15-4-5-15/h1-3,6-7,13,15-16H,4-5,8-12,14H2
InChIKeyFJYWPBAVLSJQHX-UHFFFAOYSA-N
XLogP2.19
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one (CID 122279476) is 4-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one is O=C(C1CC(=O)N(c2cccc(F)c2)C1)N1CCN(c2ccc(C3CC3)nn2)CC1.
What is the InChIKey of 4-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one?
The InChIKey is FJYWPBAVLSJQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c23-17-2-1-3-18(13-17)28-14-16(12-21(28)29)22(30)27-10-8-26(9-11-27)20-7-6-19(24-25-20)15-4-5-15/h1-3,6-7,13,15-16H,4-5,8-12,14H2.
What are the key properties of 4-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one?
4-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one has a molecular weight of 409.47 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 122279476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).