2-(2-methoxyethyl)-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one

C19H31N5O3 — CID 91920256

IUPAC2-(2-methoxyethyl)-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one
SMILESCOCCn1ncc(N2CCC(C(=O)N3CCN(C(C)C)CC3)C2)cc1=O
InChIInChI=1S/C19H31N5O3/c1-15(2)21-6-8-22(9-7-21)19(26)16-4-5-23(14-16)17-12-18(25)24(20-13-17)10-11-27-3/h12-13,15-16H,4-11,14H2,1-3H3
InChIKeyDTPVJDOKJQAHKY-UHFFFAOYSA-N
MW377.49 g/mol
LogP0.27
Rot. Bonds6

About 2-(2-methoxyethyl)-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one

2-(2-methoxyethyl)-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one (PubChem CID 91920256) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one
PubChem CID91920256
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Name2-(2-methoxyethyl)-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one
SMILESCOCCn1ncc(N2CCC(C(=O)N3CCN(C(C)C)CC3)C2)cc1=O
InChIInChI=1S/C19H31N5O3/c1-15(2)21-6-8-22(9-7-21)19(26)16-4-5-23(14-16)17-12-18(25)24(20-13-17)10-11-27-3/h12-13,15-16H,4-11,14H2,1-3H3
InChIKeyDTPVJDOKJQAHKY-UHFFFAOYSA-N
XLogP0.27
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-(2-methoxyethyl)-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one (CID 91920256) is 2-(2-methoxyethyl)-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one is COCCn1ncc(N2CCC(C(=O)N3CCN(C(C)C)CC3)C2)cc1=O.
What is the InChIKey of 2-(2-methoxyethyl)-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one?
The InChIKey is DTPVJDOKJQAHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-15(2)21-6-8-22(9-7-21)19(26)16-4-5-23(14-16)17-12-18(25)24(20-13-17)10-11-27-3/h12-13,15-16H,4-11,14H2,1-3H3.
What are the key properties of 2-(2-methoxyethyl)-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one?
2-(2-methoxyethyl)-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one has a molecular weight of 377.49 g/mol, XLogP of 0.27, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 91920256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).