(2,5-dimethylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone

C22H21N5O2 — CID 163357468

IUPAC(2,5-dimethylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone
SMILESCc1cc(C(=O)N2CCc3nc4ncc(-c5cnn(C)c5)cc4cc3C2)c(C)o1
InChIInChI=1S/C22H21N5O2/c1-13-6-19(14(2)29-13)22(28)27-5-4-20-17(12-27)8-15-7-16(9-23-21(15)25-20)18-10-24-26(3)11-18/h6-11H,4-5,12H2,1-3H3
InChIKeyVPNHYOMXOLMASQ-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.44
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone

(2,5-dimethylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone (PubChem CID 163357468) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone
PubChem CID163357468
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name(2,5-dimethylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone
SMILESCc1cc(C(=O)N2CCc3nc4ncc(-c5cnn(C)c5)cc4cc3C2)c(C)o1
InChIInChI=1S/C22H21N5O2/c1-13-6-19(14(2)29-13)22(28)27-5-4-20-17(12-27)8-15-7-16(9-23-21(15)25-20)18-10-24-26(3)11-18/h6-11H,4-5,12H2,1-3H3
InChIKeyVPNHYOMXOLMASQ-UHFFFAOYSA-N
XLogP3.44
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,5-dimethylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone with MolForge

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Related Compounds

(4-methylpiperazin-1-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone
CID 163357367
2-(3-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]ethanone
CID 163357397
7-(1-methylimidazol-4-yl)sulfonyl-3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
CID 163357484
(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 163354303
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylfuran-3-yl)methanone
CID 71805753
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 110855212
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 69330305
(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(2-methylcyclopropyl)methanone
CID 163354090
(3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 24731410
(3-methoxyphenyl)-(3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone
CID 24731407
8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 163348712
N-[5-(2,5-dimethylfuran-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527495

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone (CID 163357468) is (2,5-dimethylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone is Cc1cc(C(=O)N2CCc3nc4ncc(-c5cnn(C)c5)cc4cc3C2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone?
The InChIKey is VPNHYOMXOLMASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-13-6-19(14(2)29-13)22(28)27-5-4-20-17(12-27)8-15-7-16(9-23-21(15)25-20)18-10-24-26(3)11-18/h6-11H,4-5,12H2,1-3H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone?
(2,5-dimethylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone has a molecular weight of 387.44 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone is sourced from PubChem (CID 163357468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).