4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine

C22H21FN8O — CID 117078656

IUPAC4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine
SMILESFc1cnc(Nc2ccc(N3CCOCC3)nc2)cc1-n1cnc(Nc2ccccc2)n1
InChIInChI=1S/C22H21FN8O/c23-18-14-24-20(27-17-6-7-21(25-13-17)30-8-10-32-11-9-30)12-19(18)31-15-26-22(29-31)28-16-4-2-1-3-5-16/h1-7,12-15H,8-11H2,(H,24,27)(H,28,29)
InChIKeyBMZRCOFHTVNTDB-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.52
Rot. Bonds6

About 4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine

4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine (PubChem CID 117078656) has the molecular formula C22H21FN8O and a molecular weight of 432.46 g/mol. Its IUPAC name is 4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine
PubChem CID117078656
Molecular FormulaC22H21FN8O
Molecular Weight432.46 g/mol
Exact Mass432.18
IUPAC Name4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine
SMILESFc1cnc(Nc2ccc(N3CCOCC3)nc2)cc1-n1cnc(Nc2ccccc2)n1
InChIInChI=1S/C22H21FN8O/c23-18-14-24-20(27-17-6-7-21(25-13-17)30-8-10-32-11-9-30)12-19(18)31-15-26-22(29-31)28-16-4-2-1-3-5-16/h1-7,12-15H,8-11H2,(H,24,27)(H,28,29)
InChIKeyBMZRCOFHTVNTDB-UHFFFAOYSA-N
XLogP3.52
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine?
The IUPAC name of 4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine (CID 117078656) is 4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine?
The canonical SMILES for 4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine is Fc1cnc(Nc2ccc(N3CCOCC3)nc2)cc1-n1cnc(Nc2ccccc2)n1.
What is the InChIKey of 4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine?
The InChIKey is BMZRCOFHTVNTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN8O/c23-18-14-24-20(27-17-6-7-21(25-13-17)30-8-10-32-11-9-30)12-19(18)31-15-26-22(29-31)28-16-4-2-1-3-5-16/h1-7,12-15H,8-11H2,(H,24,27)(H,28,29).
What are the key properties of 4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine?
4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine has a molecular weight of 432.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 117078656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).