1-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)-1,5-naphthyridin-4-yl]oxy]pyrrolidin-1-yl]propan-1-one

C21H22N4O3 — CID 134152988

IUPAC1-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)-1,5-naphthyridin-4-yl]oxy]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC[C@H](Oc2ccnc3ccc(-c4ccc(OC)nc4)nc23)C1
InChIInChI=1S/C21H22N4O3/c1-3-20(26)25-11-9-15(13-25)28-18-8-10-22-17-6-5-16(24-21(17)18)14-4-7-19(27-2)23-12-14/h4-8,10,12,15H,3,9,11,13H2,1-2H3/t15-/m0/s1
InChIKeyBXJYFFUVJNTZJH-HNNXBMFYSA-N
MW378.43 g/mol
LogP3.09
Rot. Bonds5

About 1-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)-1,5-naphthyridin-4-yl]oxy]pyrrolidin-1-yl]propan-1-one

1-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)-1,5-naphthyridin-4-yl]oxy]pyrrolidin-1-yl]propan-1-one (PubChem CID 134152988) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)-1,5-naphthyridin-4-yl]oxy]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)-1,5-naphthyridin-4-yl]oxy]pyrrolidin-1-yl]propan-1-one
PubChem CID134152988
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)-1,5-naphthyridin-4-yl]oxy]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC[C@H](Oc2ccnc3ccc(-c4ccc(OC)nc4)nc23)C1
InChIInChI=1S/C21H22N4O3/c1-3-20(26)25-11-9-15(13-25)28-18-8-10-22-17-6-5-16(24-21(17)18)14-4-7-19(27-2)23-12-14/h4-8,10,12,15H,3,9,11,13H2,1-2H3/t15-/m0/s1
InChIKeyBXJYFFUVJNTZJH-HNNXBMFYSA-N
XLogP3.09
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)-1,5-naphthyridin-4-yl]oxy]pyrrolidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)-1,5-naphthyridin-4-yl]oxy]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)-1,5-naphthyridin-4-yl]oxy]pyrrolidin-1-yl]propan-1-one (CID 134152988) is 1-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)-1,5-naphthyridin-4-yl]oxy]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)-1,5-naphthyridin-4-yl]oxy]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)-1,5-naphthyridin-4-yl]oxy]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CC[C@H](Oc2ccnc3ccc(-c4ccc(OC)nc4)nc23)C1.
What is the InChIKey of 1-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)-1,5-naphthyridin-4-yl]oxy]pyrrolidin-1-yl]propan-1-one?
The InChIKey is BXJYFFUVJNTZJH-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-3-20(26)25-11-9-15(13-25)28-18-8-10-22-17-6-5-16(24-21(17)18)14-4-7-19(27-2)23-12-14/h4-8,10,12,15H,3,9,11,13H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)-1,5-naphthyridin-4-yl]oxy]pyrrolidin-1-yl]propan-1-one?
1-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)-1,5-naphthyridin-4-yl]oxy]pyrrolidin-1-yl]propan-1-one has a molecular weight of 378.43 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)-1,5-naphthyridin-4-yl]oxy]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 134152988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).