(2S)-2-(4-fluorophenyl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide

C18H21FN4O2 — CID 95781739

IUPAC(2S)-2-(4-fluorophenyl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide
SMILESCCCn1nc2c(cc1=O)CN([C@H](C(N)=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C18H21FN4O2/c1-2-8-23-16(24)10-13-11-22(9-7-15(13)21-23)17(18(20)25)12-3-5-14(19)6-4-12/h3-6,10,17H,2,7-9,11H2,1H3,(H2,20,25)/t17-/m0/s1
InChIKeyVPKZKRXMSKLQBL-KRWDZBQOSA-N
MW344.39 g/mol
LogP1.38
Rot. Bonds5

About (2S)-2-(4-fluorophenyl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide

(2S)-2-(4-fluorophenyl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide (PubChem CID 95781739) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide
PubChem CID95781739
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name(2S)-2-(4-fluorophenyl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide
SMILESCCCn1nc2c(cc1=O)CN([C@H](C(N)=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C18H21FN4O2/c1-2-8-23-16(24)10-13-11-22(9-7-15(13)21-23)17(18(20)25)12-3-5-14(19)6-4-12/h3-6,10,17H,2,7-9,11H2,1H3,(H2,20,25)/t17-/m0/s1
InChIKeyVPKZKRXMSKLQBL-KRWDZBQOSA-N
XLogP1.38
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide?
The IUPAC name of (2S)-2-(4-fluorophenyl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide (CID 95781739) is (2S)-2-(4-fluorophenyl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide is CCCn1nc2c(cc1=O)CN([C@H](C(N)=O)c1ccc(F)cc1)CC2.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide?
The InChIKey is VPKZKRXMSKLQBL-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-2-8-23-16(24)10-13-11-22(9-7-15(13)21-23)17(18(20)25)12-3-5-14(19)6-4-12/h3-6,10,17H,2,7-9,11H2,1H3,(H2,20,25)/t17-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide?
(2S)-2-(4-fluorophenyl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide has a molecular weight of 344.39 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide is sourced from PubChem (CID 95781739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).