5-chloro-4-[(3R)-3-[[4-(2-methylpiperidin-1-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1H-pyridazin-6-one

C19H24ClN5O2 — CID 164761668

IUPAC5-chloro-4-[(3R)-3-[[4-(2-methylpiperidin-1-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1H-pyridazin-6-one
SMILESCC1CCCCN1c1ccnc(O[C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1
InChIInChI=1S/C19H24ClN5O2/c1-13-4-2-3-8-25(13)14-5-7-21-17(10-14)27-15-6-9-24(12-15)16-11-22-23-19(26)18(16)20/h5,7,10-11,13,15H,2-4,6,8-9,12H2,1H3,(H,23,26)/t13?,15-/m1/s1
InChIKeyTYKQIRVEBVVGOK-AWKYBWMHSA-N
MW389.89 g/mol
LogP2.85
Rot. Bonds4

About 5-chloro-4-[(3R)-3-[[4-(2-methylpiperidin-1-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1H-pyridazin-6-one

5-chloro-4-[(3R)-3-[[4-(2-methylpiperidin-1-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1H-pyridazin-6-one (PubChem CID 164761668) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 5-chloro-4-[(3R)-3-[[4-(2-methylpiperidin-1-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(3R)-3-[[4-(2-methylpiperidin-1-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1H-pyridazin-6-one
PubChem CID164761668
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC Name5-chloro-4-[(3R)-3-[[4-(2-methylpiperidin-1-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1H-pyridazin-6-one
SMILESCC1CCCCN1c1ccnc(O[C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1
InChIInChI=1S/C19H24ClN5O2/c1-13-4-2-3-8-25(13)14-5-7-21-17(10-14)27-15-6-9-24(12-15)16-11-22-23-19(26)18(16)20/h5,7,10-11,13,15H,2-4,6,8-9,12H2,1H3,(H,23,26)/t13?,15-/m1/s1
InChIKeyTYKQIRVEBVVGOK-AWKYBWMHSA-N
XLogP2.85
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3R)-3-[[4-(2-methylpiperidin-1-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(3R)-3-[[4-(2-methylpiperidin-1-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1H-pyridazin-6-one (CID 164761668) is 5-chloro-4-[(3R)-3-[[4-(2-methylpiperidin-1-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(3R)-3-[[4-(2-methylpiperidin-1-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(3R)-3-[[4-(2-methylpiperidin-1-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1H-pyridazin-6-one is CC1CCCCN1c1ccnc(O[C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c1.
What is the InChIKey of 5-chloro-4-[(3R)-3-[[4-(2-methylpiperidin-1-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is TYKQIRVEBVVGOK-AWKYBWMHSA-N. The full InChI is InChI=1S/C19H24ClN5O2/c1-13-4-2-3-8-25(13)14-5-7-21-17(10-14)27-15-6-9-24(12-15)16-11-22-23-19(26)18(16)20/h5,7,10-11,13,15H,2-4,6,8-9,12H2,1H3,(H,23,26)/t13?,15-/m1/s1.
What are the key properties of 5-chloro-4-[(3R)-3-[[4-(2-methylpiperidin-1-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[(3R)-3-[[4-(2-methylpiperidin-1-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1H-pyridazin-6-one has a molecular weight of 389.89 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(3R)-3-[[4-(2-methylpiperidin-1-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 164761668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).