(4R)-4-[(1R)-1-[[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one

C23H25N5O3 — CID 53308738

IUPAC(4R)-4-[(1R)-1-[[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2ccc(N3CCOCC3)nc2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C23H25N5O3/c1-15(17-11-22(29)26-14-17)31-23-18-3-2-6-24-20(18)12-19(27-23)16-4-5-21(25-13-16)28-7-9-30-10-8-28/h2-6,12-13,15,17H,7-11,14H2,1H3,(H,26,29)/t15-,17-/m1/s1
InChIKeyCQHSODKUZPODHU-NVXWUHKLSA-N
MW419.49 g/mol
LogP2.43
Rot. Bonds5

About (4R)-4-[(1R)-1-[[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one (PubChem CID 53308738) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
PubChem CID53308738
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name(4R)-4-[(1R)-1-[[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2ccc(N3CCOCC3)nc2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C23H25N5O3/c1-15(17-11-22(29)26-14-17)31-23-18-3-2-6-24-20(18)12-19(27-23)16-4-5-21(25-13-16)28-7-9-30-10-8-28/h2-6,12-13,15,17H,7-11,14H2,1H3,(H,26,29)/t15-,17-/m1/s1
InChIKeyCQHSODKUZPODHU-NVXWUHKLSA-N
XLogP2.43
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one (CID 53308738) is (4R)-4-[(1R)-1-[[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one is C[C@@H](Oc1nc(-c2ccc(N3CCOCC3)nc2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The InChIKey is CQHSODKUZPODHU-NVXWUHKLSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-15(17-11-22(29)26-14-17)31-23-18-3-2-6-24-20(18)12-19(27-23)16-4-5-21(25-13-16)28-7-9-30-10-8-28/h2-6,12-13,15,17H,7-11,14H2,1H3,(H,26,29)/t15-,17-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one has a molecular weight of 419.49 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 53308738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).