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

C19H16FN5O — CID 172525248

IUPAC7-cyclopropyl-8-fluoro-2-methyl-5-(2-methyl-3-pyridinyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
SMILESCc1ncccc1-n1c(=O)c2nn(C)cc2c2cc(F)c(C3CC3)nc21
InChIInChI=1S/C19H16FN5O/c1-10-15(4-3-7-21-10)25-18-12(8-14(20)16(22-18)11-5-6-11)13-9-24(2)23-17(13)19(25)26/h3-4,7-9,11H,5-6H2,1-2H3
InChIKeyXSWNZSJVYCFKQE-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.99
Rot. Bonds2

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

7-cyclopropyl-8-fluoro-2-methyl-5-(2-methyl-3-pyridinyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one (PubChem CID 172525248) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 7-cyclopropyl-8-fluoro-2-methyl-5-(2-methyl-3-pyridinyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name7-cyclopropyl-8-fluoro-2-methyl-5-(2-methyl-3-pyridinyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
PubChem CID172525248
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name7-cyclopropyl-8-fluoro-2-methyl-5-(2-methyl-3-pyridinyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
SMILESCc1ncccc1-n1c(=O)c2nn(C)cc2c2cc(F)c(C3CC3)nc21
InChIInChI=1S/C19H16FN5O/c1-10-15(4-3-7-21-10)25-18-12(8-14(20)16(22-18)11-5-6-11)13-9-24(2)23-17(13)19(25)26/h3-4,7-9,11H,5-6H2,1-2H3
InChIKeyXSWNZSJVYCFKQE-UHFFFAOYSA-N
XLogP2.99
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-8-fluoro-2-methyl-5-(2-methyl-3-pyridinyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The IUPAC name of 7-cyclopropyl-8-fluoro-2-methyl-5-(2-methyl-3-pyridinyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one (CID 172525248) is 7-cyclopropyl-8-fluoro-2-methyl-5-(2-methyl-3-pyridinyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 7-cyclopropyl-8-fluoro-2-methyl-5-(2-methyl-3-pyridinyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The canonical SMILES for 7-cyclopropyl-8-fluoro-2-methyl-5-(2-methyl-3-pyridinyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one is Cc1ncccc1-n1c(=O)c2nn(C)cc2c2cc(F)c(C3CC3)nc21.
What is the InChIKey of 7-cyclopropyl-8-fluoro-2-methyl-5-(2-methyl-3-pyridinyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The InChIKey is XSWNZSJVYCFKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-10-15(4-3-7-21-10)25-18-12(8-14(20)16(22-18)11-5-6-11)13-9-24(2)23-17(13)19(25)26/h3-4,7-9,11H,5-6H2,1-2H3.
What are the key properties of 7-cyclopropyl-8-fluoro-2-methyl-5-(2-methyl-3-pyridinyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
7-cyclopropyl-8-fluoro-2-methyl-5-(2-methyl-3-pyridinyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one has a molecular weight of 349.37 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-8-fluoro-2-methyl-5-(2-methyl-3-pyridinyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 172525248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).