7-cyclopropyl-5-(2-cyclopropyl-3-pyridinyl)-8-fluoro-1-methyl-2H-pyrazolo[3,4-c][1,8]naphthyridin-4-one

C21H18FN5O — CID 172525078

IUPAC7-cyclopropyl-5-(2-cyclopropyl-3-pyridinyl)-8-fluoro-1-methyl-2H-pyrazolo[3,4-c][1,8]naphthyridin-4-one
SMILESCc1[nH]nc2c(=O)n(-c3cccnc3C3CC3)c3nc(C4CC4)c(F)cc3c12
InChIInChI=1S/C21H18FN5O/c1-10-16-13-9-14(22)17(11-4-5-11)24-20(13)27(21(28)19(16)26-25-10)15-3-2-8-23-18(15)12-6-7-12/h2-3,8-9,11-12H,4-7H2,1H3,(H,25,26)
InChIKeyQJOJNCOAQIGYIX-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.86
Rot. Bonds3

About 7-cyclopropyl-5-(2-cyclopropyl-3-pyridinyl)-8-fluoro-1-methyl-2H-pyrazolo[3,4-c][1,8]naphthyridin-4-one

7-cyclopropyl-5-(2-cyclopropyl-3-pyridinyl)-8-fluoro-1-methyl-2H-pyrazolo[3,4-c][1,8]naphthyridin-4-one (PubChem CID 172525078) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 7-cyclopropyl-5-(2-cyclopropyl-3-pyridinyl)-8-fluoro-1-methyl-2H-pyrazolo[3,4-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name7-cyclopropyl-5-(2-cyclopropyl-3-pyridinyl)-8-fluoro-1-methyl-2H-pyrazolo[3,4-c][1,8]naphthyridin-4-one
PubChem CID172525078
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name7-cyclopropyl-5-(2-cyclopropyl-3-pyridinyl)-8-fluoro-1-methyl-2H-pyrazolo[3,4-c][1,8]naphthyridin-4-one
SMILESCc1[nH]nc2c(=O)n(-c3cccnc3C3CC3)c3nc(C4CC4)c(F)cc3c12
InChIInChI=1S/C21H18FN5O/c1-10-16-13-9-14(22)17(11-4-5-11)24-20(13)27(21(28)19(16)26-25-10)15-3-2-8-23-18(15)12-6-7-12/h2-3,8-9,11-12H,4-7H2,1H3,(H,25,26)
InChIKeyQJOJNCOAQIGYIX-UHFFFAOYSA-N
XLogP3.86
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-cyclopropyl-8-fluoro-2-methyl-5-(2-methyl-3-pyridinyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525248
7-(4-aminocyclohexyl)-6-fluoro-9-(4-fluorophenyl)-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione
CID 54471257
7-chloro-5-(2-cyclopropyl-3-pyridinyl)-2-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile
CID 172525129
1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
CID 91328496
4-cyclopentyl-3-methyl-2H-pyrazolo[4,3-c]pyridine
CID 59618852
4-amino-1-(2-chloro-3-fluorophenyl)-7-cyclopropylpyrido[2,3-d]pyrimidin-2-one
CID 162523896
7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoro-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 142482403
4,7-difluoro-3-methyl-2H-indazole
CID 70307019
4,6,7-trichloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 135378722
2-cyclopropyl-8-fluoro-3-methylimidazo[1,2-a]pyridine
CID 89404565
3-cyclopropyl-1-[1-(4,5-difluoro-2-pyridinyl)ethyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 146595200
11-(2-fluorophenyl)-3-methyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,5,7-tetraene-10,12-dione
CID 66506570

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-5-(2-cyclopropyl-3-pyridinyl)-8-fluoro-1-methyl-2H-pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The IUPAC name of 7-cyclopropyl-5-(2-cyclopropyl-3-pyridinyl)-8-fluoro-1-methyl-2H-pyrazolo[3,4-c][1,8]naphthyridin-4-one (CID 172525078) is 7-cyclopropyl-5-(2-cyclopropyl-3-pyridinyl)-8-fluoro-1-methyl-2H-pyrazolo[3,4-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 7-cyclopropyl-5-(2-cyclopropyl-3-pyridinyl)-8-fluoro-1-methyl-2H-pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The canonical SMILES for 7-cyclopropyl-5-(2-cyclopropyl-3-pyridinyl)-8-fluoro-1-methyl-2H-pyrazolo[3,4-c][1,8]naphthyridin-4-one is Cc1[nH]nc2c(=O)n(-c3cccnc3C3CC3)c3nc(C4CC4)c(F)cc3c12.
What is the InChIKey of 7-cyclopropyl-5-(2-cyclopropyl-3-pyridinyl)-8-fluoro-1-methyl-2H-pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The InChIKey is QJOJNCOAQIGYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-10-16-13-9-14(22)17(11-4-5-11)24-20(13)27(21(28)19(16)26-25-10)15-3-2-8-23-18(15)12-6-7-12/h2-3,8-9,11-12H,4-7H2,1H3,(H,25,26).
What are the key properties of 7-cyclopropyl-5-(2-cyclopropyl-3-pyridinyl)-8-fluoro-1-methyl-2H-pyrazolo[3,4-c][1,8]naphthyridin-4-one?
7-cyclopropyl-5-(2-cyclopropyl-3-pyridinyl)-8-fluoro-1-methyl-2H-pyrazolo[3,4-c][1,8]naphthyridin-4-one has a molecular weight of 375.41 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-5-(2-cyclopropyl-3-pyridinyl)-8-fluoro-1-methyl-2H-pyrazolo[3,4-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 172525078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).