7-(1-ethylpyrazol-4-yl)-5-[[(3S)-3-fluoropiperidin-3-yl]methoxy]-1,6-naphthyridine

C19H22FN5O — CID 54575512

IUPAC7-(1-ethylpyrazol-4-yl)-5-[[(3S)-3-fluoropiperidin-3-yl]methoxy]-1,6-naphthyridine
SMILESCCn1cc(-c2cc3ncccc3c(OC[C@]3(F)CCCNC3)n2)cn1
InChIInChI=1S/C19H22FN5O/c1-2-25-11-14(10-23-25)16-9-17-15(5-3-8-22-17)18(24-16)26-13-19(20)6-4-7-21-12-19/h3,5,8-11,21H,2,4,6-7,12-13H2,1H3/t19-/m0/s1
InChIKeyRIMJBMUTGPKCCS-IBGZPJMESA-N
MW355.42 g/mol
LogP2.98
Rot. Bonds5

About 7-(1-ethylpyrazol-4-yl)-5-[[(3S)-3-fluoropiperidin-3-yl]methoxy]-1,6-naphthyridine

7-(1-ethylpyrazol-4-yl)-5-[[(3S)-3-fluoropiperidin-3-yl]methoxy]-1,6-naphthyridine (PubChem CID 54575512) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 7-(1-ethylpyrazol-4-yl)-5-[[(3S)-3-fluoropiperidin-3-yl]methoxy]-1,6-naphthyridine.

Molecular Properties

Compound Name7-(1-ethylpyrazol-4-yl)-5-[[(3S)-3-fluoropiperidin-3-yl]methoxy]-1,6-naphthyridine
PubChem CID54575512
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name7-(1-ethylpyrazol-4-yl)-5-[[(3S)-3-fluoropiperidin-3-yl]methoxy]-1,6-naphthyridine
SMILESCCn1cc(-c2cc3ncccc3c(OC[C@]3(F)CCCNC3)n2)cn1
InChIInChI=1S/C19H22FN5O/c1-2-25-11-14(10-23-25)16-9-17-15(5-3-8-22-17)18(24-16)26-13-19(20)6-4-7-21-12-19/h3,5,8-11,21H,2,4,6-7,12-13H2,1H3/t19-/m0/s1
InChIKeyRIMJBMUTGPKCCS-IBGZPJMESA-N
XLogP2.98
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 11682906
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CID 122412737
CID 11196622
CID 11196622
CID 11661426
CID 11661426
CID 11668304
CID 11668304
CID 21992630
CID 21992630
CID 21992654
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CID 11604203
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CID 11669507

Frequently Asked Questions

What is the IUPAC name of 7-(1-ethylpyrazol-4-yl)-5-[[(3S)-3-fluoropiperidin-3-yl]methoxy]-1,6-naphthyridine?
The IUPAC name of 7-(1-ethylpyrazol-4-yl)-5-[[(3S)-3-fluoropiperidin-3-yl]methoxy]-1,6-naphthyridine (CID 54575512) is 7-(1-ethylpyrazol-4-yl)-5-[[(3S)-3-fluoropiperidin-3-yl]methoxy]-1,6-naphthyridine.
What is the SMILES notation for 7-(1-ethylpyrazol-4-yl)-5-[[(3S)-3-fluoropiperidin-3-yl]methoxy]-1,6-naphthyridine?
The canonical SMILES for 7-(1-ethylpyrazol-4-yl)-5-[[(3S)-3-fluoropiperidin-3-yl]methoxy]-1,6-naphthyridine is CCn1cc(-c2cc3ncccc3c(OC[C@]3(F)CCCNC3)n2)cn1.
What is the InChIKey of 7-(1-ethylpyrazol-4-yl)-5-[[(3S)-3-fluoropiperidin-3-yl]methoxy]-1,6-naphthyridine?
The InChIKey is RIMJBMUTGPKCCS-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22FN5O/c1-2-25-11-14(10-23-25)16-9-17-15(5-3-8-22-17)18(24-16)26-13-19(20)6-4-7-21-12-19/h3,5,8-11,21H,2,4,6-7,12-13H2,1H3/t19-/m0/s1.
What are the key properties of 7-(1-ethylpyrazol-4-yl)-5-[[(3S)-3-fluoropiperidin-3-yl]methoxy]-1,6-naphthyridine?
7-(1-ethylpyrazol-4-yl)-5-[[(3S)-3-fluoropiperidin-3-yl]methoxy]-1,6-naphthyridine has a molecular weight of 355.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethylpyrazol-4-yl)-5-[[(3S)-3-fluoropiperidin-3-yl]methoxy]-1,6-naphthyridine is sourced from PubChem (CID 54575512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).