4-(7-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine

C21H20FN7O — CID 58508256

IUPAC4-(7-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESFc1ccc(-c2nc(NCc3ccccn3)nc(N3CCOCC3)n2)c2cc[nH]c12
InChIInChI=1S/C21H20FN7O/c22-17-5-4-16(15-6-8-24-18(15)17)19-26-20(25-13-14-3-1-2-7-23-14)28-21(27-19)29-9-11-30-12-10-29/h1-8,24H,9-13H2,(H,25,26,27,28)
InChIKeyPRBHPJKTXDZNMQ-UHFFFAOYSA-N
MW405.44 g/mol
LogP3.00
Rot. Bonds5

About 4-(7-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine

4-(7-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 58508256) has the molecular formula C21H20FN7O and a molecular weight of 405.44 g/mol. Its IUPAC name is 4-(7-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(7-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID58508256
Molecular FormulaC21H20FN7O
Molecular Weight405.44 g/mol
Exact Mass405.17
IUPAC Name4-(7-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESFc1ccc(-c2nc(NCc3ccccn3)nc(N3CCOCC3)n2)c2cc[nH]c12
InChIInChI=1S/C21H20FN7O/c22-17-5-4-16(15-6-8-24-18(15)17)19-26-20(25-13-14-3-1-2-7-23-14)28-21(27-19)29-9-11-30-12-10-29/h1-8,24H,9-13H2,(H,25,26,27,28)
InChIKeyPRBHPJKTXDZNMQ-UHFFFAOYSA-N
XLogP3.00
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(7-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine (CID 58508256) is 4-(7-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(7-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(7-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine is Fc1ccc(-c2nc(NCc3ccccn3)nc(N3CCOCC3)n2)c2cc[nH]c12.
What is the InChIKey of 4-(7-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is PRBHPJKTXDZNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7O/c22-17-5-4-16(15-6-8-24-18(15)17)19-26-20(25-13-14-3-1-2-7-23-14)28-21(27-19)29-9-11-30-12-10-29/h1-8,24H,9-13H2,(H,25,26,27,28).
What are the key properties of 4-(7-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine?
4-(7-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 405.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 58508256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).