4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidine-2-carboxamide

C17H16FN5O2 — CID 68703986

IUPAC4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidine-2-carboxamide
SMILESNC(=O)c1nc(-c2cc(F)cc3[nH]ccc23)cc(N2CCOCC2)n1
InChIInChI=1S/C17H16FN5O2/c18-10-7-12(11-1-2-20-13(11)8-10)14-9-15(22-17(21-14)16(19)24)23-3-5-25-6-4-23/h1-2,7-9,20H,3-6H2,(H2,19,24)
InChIKeyGUFATVBKAHNHCF-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.70
Rot. Bonds3

About 4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidine-2-carboxamide

4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidine-2-carboxamide (PubChem CID 68703986) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidine-2-carboxamide
PubChem CID68703986
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidine-2-carboxamide
SMILESNC(=O)c1nc(-c2cc(F)cc3[nH]ccc23)cc(N2CCOCC2)n1
InChIInChI=1S/C17H16FN5O2/c18-10-7-12(11-1-2-20-13(11)8-10)14-9-15(22-17(21-14)16(19)24)23-3-5-25-6-4-23/h1-2,7-9,20H,3-6H2,(H2,19,24)
InChIKeyGUFATVBKAHNHCF-UHFFFAOYSA-N
XLogP1.70
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidine-2-carboxamide?
The IUPAC name of 4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidine-2-carboxamide (CID 68703986) is 4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidine-2-carboxamide?
The canonical SMILES for 4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidine-2-carboxamide is NC(=O)c1nc(-c2cc(F)cc3[nH]ccc23)cc(N2CCOCC2)n1.
What is the InChIKey of 4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidine-2-carboxamide?
The InChIKey is GUFATVBKAHNHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c18-10-7-12(11-1-2-20-13(11)8-10)14-9-15(22-17(21-14)16(19)24)23-3-5-25-6-4-23/h1-2,7-9,20H,3-6H2,(H2,19,24).
What are the key properties of 4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidine-2-carboxamide?
4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidine-2-carboxamide has a molecular weight of 341.35 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidine-2-carboxamide is sourced from PubChem (CID 68703986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).