(2S,4R)-8-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene

C19H14F2N6 — CID 169306104

IUPAC(2S,4R)-8-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene
SMILESFc1ccc(-c2nn3c(c2-c2c(F)cnc4[nH]ncc24)CC[C@@H]2C[C@@H]23)nc1
InChIInChI=1S/C19H14F2N6/c20-10-2-3-13(22-6-10)18-17(14-4-1-9-5-15(9)27(14)26-18)16-11-7-24-25-19(11)23-8-12(16)21/h2-3,6-9,15H,1,4-5H2,(H,23,24,25)/t9-,15+/m1/s1
InChIKeyGHIKJWQWZXBFJJ-PSLIRLAXSA-N
MW364.36 g/mol
LogP3.67
Rot. Bonds2

About (2S,4R)-8-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene

(2S,4R)-8-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene (PubChem CID 169306104) has the molecular formula C19H14F2N6 and a molecular weight of 364.36 g/mol. Its IUPAC name is (2S,4R)-8-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene.

Molecular Properties

Compound Name(2S,4R)-8-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene
PubChem CID169306104
Molecular FormulaC19H14F2N6
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name(2S,4R)-8-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene
SMILESFc1ccc(-c2nn3c(c2-c2c(F)cnc4[nH]ncc24)CC[C@@H]2C[C@@H]23)nc1
InChIInChI=1S/C19H14F2N6/c20-10-2-3-13(22-6-10)18-17(14-4-1-9-5-15(9)27(14)26-18)16-11-7-24-25-19(11)23-8-12(16)21/h2-3,6-9,15H,1,4-5H2,(H,23,24,25)/t9-,15+/m1/s1
InChIKeyGHIKJWQWZXBFJJ-PSLIRLAXSA-N
XLogP3.67
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-8-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene?
The IUPAC name of (2S,4R)-8-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene (CID 169306104) is (2S,4R)-8-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene.
What is the SMILES notation for (2S,4R)-8-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene?
The canonical SMILES for (2S,4R)-8-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene is Fc1ccc(-c2nn3c(c2-c2c(F)cnc4[nH]ncc24)CC[C@@H]2C[C@@H]23)nc1.
What is the InChIKey of (2S,4R)-8-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene?
The InChIKey is GHIKJWQWZXBFJJ-PSLIRLAXSA-N. The full InChI is InChI=1S/C19H14F2N6/c20-10-2-3-13(22-6-10)18-17(14-4-1-9-5-15(9)27(14)26-18)16-11-7-24-25-19(11)23-8-12(16)21/h2-3,6-9,15H,1,4-5H2,(H,23,24,25)/t9-,15+/m1/s1.
What are the key properties of (2S,4R)-8-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene?
(2S,4R)-8-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene has a molecular weight of 364.36 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-8-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene is sourced from PubChem (CID 169306104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).