4-(6-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine

C21H21FN8O — CID 58507862

IUPAC4-(6-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
SMILESFc1cc(-c2nc(NCCc3cccnc3)nc(N3CCOCC3)n2)c2cn[nH]c2c1
InChIInChI=1S/C21H21FN8O/c22-15-10-16(17-13-25-29-18(17)11-15)19-26-20(24-5-3-14-2-1-4-23-12-14)28-21(27-19)30-6-8-31-9-7-30/h1-2,4,10-13H,3,5-9H2,(H,25,29)(H,24,26,27,28)
InChIKeyQBHNSHCPBJRHGT-UHFFFAOYSA-N
MW420.45 g/mol
LogP2.44
Rot. Bonds6

About 4-(6-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine

4-(6-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine (PubChem CID 58507862) has the molecular formula C21H21FN8O and a molecular weight of 420.45 g/mol. Its IUPAC name is 4-(6-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(6-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
PubChem CID58507862
Molecular FormulaC21H21FN8O
Molecular Weight420.45 g/mol
Exact Mass420.18
IUPAC Name4-(6-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
SMILESFc1cc(-c2nc(NCCc3cccnc3)nc(N3CCOCC3)n2)c2cn[nH]c2c1
InChIInChI=1S/C21H21FN8O/c22-15-10-16(17-13-25-29-18(17)11-15)19-26-20(24-5-3-14-2-1-4-23-12-14)28-21(27-19)30-6-8-31-9-7-30/h1-2,4,10-13H,3,5-9H2,(H,25,29)(H,24,26,27,28)
InChIKeyQBHNSHCPBJRHGT-UHFFFAOYSA-N
XLogP2.44
TPSA104.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(6-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine (CID 58507862) is 4-(6-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(6-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(6-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine is Fc1cc(-c2nc(NCCc3cccnc3)nc(N3CCOCC3)n2)c2cn[nH]c2c1.
What is the InChIKey of 4-(6-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine?
The InChIKey is QBHNSHCPBJRHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN8O/c22-15-10-16(17-13-25-29-18(17)11-15)19-26-20(24-5-3-14-2-1-4-23-12-14)28-21(27-19)30-6-8-31-9-7-30/h1-2,4,10-13H,3,5-9H2,(H,25,29)(H,24,26,27,28).
What are the key properties of 4-(6-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine?
4-(6-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine has a molecular weight of 420.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1H-indazol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 58507862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).