2-[4-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanol

C23H23N5O3 — CID 71062719

IUPAC2-[4-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanol
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc3cccnc3cc2-c2cnn(CCO)c2)nc1
InChIInChI=1S/C23H23N5O3/c1-30-17-4-5-20(25-12-17)18-9-15(18)14-31-23-19(16-11-26-28(13-16)7-8-29)10-22-21(27-23)3-2-6-24-22/h2-6,10-13,15,18,29H,7-9,14H2,1H3/t15-,18+/m1/s1
InChIKeySIODGJOUFXQXGM-QAPCUYQASA-N
MW417.47 g/mol
LogP3.07
Rot. Bonds8

About 2-[4-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanol

2-[4-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanol (PubChem CID 71062719) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-[4-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanol
PubChem CID71062719
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name2-[4-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanol
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc3cccnc3cc2-c2cnn(CCO)c2)nc1
InChIInChI=1S/C23H23N5O3/c1-30-17-4-5-20(25-12-17)18-9-15(18)14-31-23-19(16-11-26-28(13-16)7-8-29)10-22-21(27-23)3-2-6-24-22/h2-6,10-13,15,18,29H,7-9,14H2,1H3/t15-,18+/m1/s1
InChIKeySIODGJOUFXQXGM-QAPCUYQASA-N
XLogP3.07
TPSA95.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanol (CID 71062719) is 2-[4-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanol is COc1ccc([C@H]2C[C@@H]2COc2nc3cccnc3cc2-c2cnn(CCO)c2)nc1.
What is the InChIKey of 2-[4-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanol?
The InChIKey is SIODGJOUFXQXGM-QAPCUYQASA-N. The full InChI is InChI=1S/C23H23N5O3/c1-30-17-4-5-20(25-12-17)18-9-15(18)14-31-23-19(16-11-26-28(13-16)7-8-29)10-22-21(27-23)3-2-6-24-22/h2-6,10-13,15,18,29H,7-9,14H2,1H3/t15-,18+/m1/s1.
What are the key properties of 2-[4-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanol?
2-[4-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanol has a molecular weight of 417.47 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 71062719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).