[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3,3-difluorocyclobutyl)methanone

C18H22F2N2O2 — CID 131688358

IUPAC[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3,3-difluorocyclobutyl)methanone
SMILESO=C(C1CC(F)(F)C1)N1CCc2c(COCC3CC3)cncc2C1
InChIInChI=1S/C18H22F2N2O2/c19-18(20)5-13(6-18)17(23)22-4-3-16-14(9-22)7-21-8-15(16)11-24-10-12-1-2-12/h7-8,12-13H,1-6,9-11H2
InChIKeySQIQDDXVKKOZQL-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.94
Rot. Bonds5

About [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3,3-difluorocyclobutyl)methanone

[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3,3-difluorocyclobutyl)methanone (PubChem CID 131688358) has the molecular formula C18H22F2N2O2 and a molecular weight of 336.38 g/mol. Its IUPAC name is [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3,3-difluorocyclobutyl)methanone.

Molecular Properties

Compound Name[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3,3-difluorocyclobutyl)methanone
PubChem CID131688358
Molecular FormulaC18H22F2N2O2
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Name[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3,3-difluorocyclobutyl)methanone
SMILESO=C(C1CC(F)(F)C1)N1CCc2c(COCC3CC3)cncc2C1
InChIInChI=1S/C18H22F2N2O2/c19-18(20)5-13(6-18)17(23)22-4-3-16-14(9-22)7-21-8-15(16)11-24-10-12-1-2-12/h7-8,12-13H,1-6,9-11H2
InChIKeySQIQDDXVKKOZQL-UHFFFAOYSA-N
XLogP2.94
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 97406097
[5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone
CID 97463759
cyclopent-3-en-1-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 97463841
cyclopent-3-en-1-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 118746408
[5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 118746543
1-[4,4-Difluoro-3-(pyridin-4-ylmethoxymethyl)piperidin-1-yl]-3-methoxypropan-1-one
CID 124051357
5-(cyclopropylmethoxymethyl)-2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine
CID 97381960
2-(3-fluorophenyl)-1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 97463686
methyl 7-(2,2,2-trifluoroacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
CID 112535213
Cyclopentyl-[4,4-difluoro-3-(pyridin-3-ylmethoxymethyl)piperidin-1-yl]methanone
CID 124051345
Cyclopropyl{4,4-difluoro-3-[(3-pyridylmethoxy)methyl]piperidino}methanone
CID 124051349
Cyclobutyl-[4,4-difluoro-3-(pyridin-3-ylmethoxymethyl)piperidin-1-yl]methanone
CID 124051350

Frequently Asked Questions

What is the IUPAC name of [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3,3-difluorocyclobutyl)methanone?
The IUPAC name of [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3,3-difluorocyclobutyl)methanone (CID 131688358) is [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3,3-difluorocyclobutyl)methanone.
What is the SMILES notation for [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3,3-difluorocyclobutyl)methanone?
The canonical SMILES for [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3,3-difluorocyclobutyl)methanone is O=C(C1CC(F)(F)C1)N1CCc2c(COCC3CC3)cncc2C1.
What is the InChIKey of [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3,3-difluorocyclobutyl)methanone?
The InChIKey is SQIQDDXVKKOZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O2/c19-18(20)5-13(6-18)17(23)22-4-3-16-14(9-22)7-21-8-15(16)11-24-10-12-1-2-12/h7-8,12-13H,1-6,9-11H2.
What are the key properties of [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3,3-difluorocyclobutyl)methanone?
[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3,3-difluorocyclobutyl)methanone has a molecular weight of 336.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3,3-difluorocyclobutyl)methanone is sourced from PubChem (CID 131688358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).