3-[4-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-pyridin-4-yltriazolo[4,5-c]pyridin-6-yl]benzonitrile

C23H15FN8 — CID 154666325

IUPAC3-[4-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-pyridin-4-yltriazolo[4,5-c]pyridin-6-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(N)c3nn(Cc4ncccc4F)nc3c2-c2ccncc2)c1
InChIInChI=1S/C23H15FN8/c24-17-5-2-8-28-18(17)13-32-30-21-19(15-6-9-27-10-7-15)20(29-23(26)22(21)31-32)16-4-1-3-14(11-16)12-25/h1-11H,13H2,(H2,26,29)
InChIKeyUDTYMQWVZMEAGS-UHFFFAOYSA-N
MW422.43 g/mol
LogP3.59
Rot. Bonds4

About 3-[4-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-pyridin-4-yltriazolo[4,5-c]pyridin-6-yl]benzonitrile

3-[4-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-pyridin-4-yltriazolo[4,5-c]pyridin-6-yl]benzonitrile (PubChem CID 154666325) has the molecular formula C23H15FN8 and a molecular weight of 422.43 g/mol. Its IUPAC name is 3-[4-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-pyridin-4-yltriazolo[4,5-c]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name3-[4-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-pyridin-4-yltriazolo[4,5-c]pyridin-6-yl]benzonitrile
PubChem CID154666325
Molecular FormulaC23H15FN8
Molecular Weight422.43 g/mol
Exact Mass422.14
IUPAC Name3-[4-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-pyridin-4-yltriazolo[4,5-c]pyridin-6-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(N)c3nn(Cc4ncccc4F)nc3c2-c2ccncc2)c1
InChIInChI=1S/C23H15FN8/c24-17-5-2-8-28-18(17)13-32-30-21-19(15-6-9-27-10-7-15)20(29-23(26)22(21)31-32)16-4-1-3-14(11-16)12-25/h1-11H,13H2,(H2,26,29)
InChIKeyUDTYMQWVZMEAGS-UHFFFAOYSA-N
XLogP3.59
TPSA119.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-pyridin-4-yltriazolo[4,5-c]pyridin-6-yl]benzonitrile?
The IUPAC name of 3-[4-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-pyridin-4-yltriazolo[4,5-c]pyridin-6-yl]benzonitrile (CID 154666325) is 3-[4-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-pyridin-4-yltriazolo[4,5-c]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 3-[4-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-pyridin-4-yltriazolo[4,5-c]pyridin-6-yl]benzonitrile?
The canonical SMILES for 3-[4-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-pyridin-4-yltriazolo[4,5-c]pyridin-6-yl]benzonitrile is N#Cc1cccc(-c2nc(N)c3nn(Cc4ncccc4F)nc3c2-c2ccncc2)c1.
What is the InChIKey of 3-[4-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-pyridin-4-yltriazolo[4,5-c]pyridin-6-yl]benzonitrile?
The InChIKey is UDTYMQWVZMEAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN8/c24-17-5-2-8-28-18(17)13-32-30-21-19(15-6-9-27-10-7-15)20(29-23(26)22(21)31-32)16-4-1-3-14(11-16)12-25/h1-11H,13H2,(H2,26,29).
What are the key properties of 3-[4-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-pyridin-4-yltriazolo[4,5-c]pyridin-6-yl]benzonitrile?
3-[4-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-pyridin-4-yltriazolo[4,5-c]pyridin-6-yl]benzonitrile has a molecular weight of 422.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-pyridin-4-yltriazolo[4,5-c]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 154666325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).