2-(2,5-difluorophenyl)-4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)-1,8-naphthyridine

C21H13F2N5 — CID 53372191

IUPAC2-(2,5-difluorophenyl)-4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)-1,8-naphthyridine
SMILESCc1nn(-c2cc(-c3cc(F)ccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C21H13F2N5/c1-12-16-11-24-8-6-19(16)28(27-12)20-10-18(15-9-13(22)4-5-17(15)23)26-21-14(20)3-2-7-25-21/h2-11H,1H3
InChIKeyKZNRLTVVXZUVOD-UHFFFAOYSA-N
MW373.37 g/mol
LogP4.62
Rot. Bonds2

About 2-(2,5-difluorophenyl)-4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)-1,8-naphthyridine

2-(2,5-difluorophenyl)-4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)-1,8-naphthyridine (PubChem CID 53372191) has the molecular formula C21H13F2N5 and a molecular weight of 373.37 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)-1,8-naphthyridine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)-1,8-naphthyridine
PubChem CID53372191
Molecular FormulaC21H13F2N5
Molecular Weight373.37 g/mol
Exact Mass373.11
IUPAC Name2-(2,5-difluorophenyl)-4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)-1,8-naphthyridine
SMILESCc1nn(-c2cc(-c3cc(F)ccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C21H13F2N5/c1-12-16-11-24-8-6-19(16)28(27-12)20-10-18(15-9-13(22)4-5-17(15)23)26-21-14(20)3-2-7-25-21/h2-11H,1H3
InChIKeyKZNRLTVVXZUVOD-UHFFFAOYSA-N
XLogP4.62
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)-1,8-naphthyridine?
The IUPAC name of 2-(2,5-difluorophenyl)-4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)-1,8-naphthyridine (CID 53372191) is 2-(2,5-difluorophenyl)-4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)-1,8-naphthyridine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)-1,8-naphthyridine?
The canonical SMILES for 2-(2,5-difluorophenyl)-4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)-1,8-naphthyridine is Cc1nn(-c2cc(-c3cc(F)ccc3F)nc3ncccc23)c2ccncc12.
What is the InChIKey of 2-(2,5-difluorophenyl)-4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)-1,8-naphthyridine?
The InChIKey is KZNRLTVVXZUVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2N5/c1-12-16-11-24-8-6-19(16)28(27-12)20-10-18(15-9-13(22)4-5-17(15)23)26-21-14(20)3-2-7-25-21/h2-11H,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)-1,8-naphthyridine?
2-(2,5-difluorophenyl)-4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)-1,8-naphthyridine has a molecular weight of 373.37 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)-1,8-naphthyridine is sourced from PubChem (CID 53372191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).