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

C15H18F2N2O2 — CID 131689356

IUPAC(3,3-difluorocyclobutyl)-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
SMILESCOCc1cncc2c1CCN(C(=O)C1CC(F)(F)C1)C2
InChIInChI=1S/C15H18F2N2O2/c1-21-9-12-7-18-6-11-8-19(3-2-13(11)12)14(20)10-4-15(16,17)5-10/h6-7,10H,2-5,8-9H2,1H3
InChIKeyBURMBQBOIKCOQL-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.16
Rot. Bonds3

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

(3,3-difluorocyclobutyl)-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone (PubChem CID 131689356) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
PubChem CID131689356
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name(3,3-difluorocyclobutyl)-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
SMILESCOCc1cncc2c1CCN(C(=O)C1CC(F)(F)C1)C2
InChIInChI=1S/C15H18F2N2O2/c1-21-9-12-7-18-6-11-8-19(3-2-13(11)12)14(20)10-4-15(16,17)5-10/h6-7,10H,2-5,8-9H2,1H3
InChIKeyBURMBQBOIKCOQL-UHFFFAOYSA-N
XLogP2.16
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.16
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
N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide
CID 97463797
cyclopent-3-en-1-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 97463841
[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
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
(3,3-difluorocyclobutyl)-[(5R,9S)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 129548757

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone (CID 131689356) is (3,3-difluorocyclobutyl)-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone is COCc1cncc2c1CCN(C(=O)C1CC(F)(F)C1)C2.
What is the InChIKey of (3,3-difluorocyclobutyl)-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?
The InChIKey is BURMBQBOIKCOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-21-9-12-7-18-6-11-8-19(3-2-13(11)12)14(20)10-4-15(16,17)5-10/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of (3,3-difluorocyclobutyl)-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?
(3,3-difluorocyclobutyl)-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone has a molecular weight of 296.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone is sourced from PubChem (CID 131689356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).