1-[3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone

C25H28N4O3 — CID 71085885

IUPAC1-[3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc3cccnc3cc2C2CCCN(C(C)=O)C2)nc1
InChIInChI=1S/C25H28N4O3/c1-16(30)29-10-4-5-17(14-29)21-12-24-23(6-3-9-26-24)28-25(21)32-15-18-11-20(18)22-8-7-19(31-2)13-27-22/h3,6-9,12-13,17-18,20H,4-5,10-11,14-15H2,1-2H3/t17?,18-,20+/m1/s1
InChIKeyKDJBOXFYCVDLKX-FLXSOZOKSA-N
MW432.52 g/mol
LogP3.94
Rot. Bonds6

About 1-[3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone

1-[3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone (PubChem CID 71085885) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-[3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone
PubChem CID71085885
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name1-[3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc3cccnc3cc2C2CCCN(C(C)=O)C2)nc1
InChIInChI=1S/C25H28N4O3/c1-16(30)29-10-4-5-17(14-29)21-12-24-23(6-3-9-26-24)28-25(21)32-15-18-11-20(18)22-8-7-19(31-2)13-27-22/h3,6-9,12-13,17-18,20H,4-5,10-11,14-15H2,1-2H3/t17?,18-,20+/m1/s1
InChIKeyKDJBOXFYCVDLKX-FLXSOZOKSA-N
XLogP3.94
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone (CID 71085885) is 1-[3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone is COc1ccc([C@H]2C[C@@H]2COc2nc3cccnc3cc2C2CCCN(C(C)=O)C2)nc1.
What is the InChIKey of 1-[3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone?
The InChIKey is KDJBOXFYCVDLKX-FLXSOZOKSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-16(30)29-10-4-5-17(14-29)21-12-24-23(6-3-9-26-24)28-25(21)32-15-18-11-20(18)22-8-7-19(31-2)13-27-22/h3,6-9,12-13,17-18,20H,4-5,10-11,14-15H2,1-2H3/t17?,18-,20+/m1/s1.
What are the key properties of 1-[3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone?
1-[3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone has a molecular weight of 432.52 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71085885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).