4-[3-[4-(6-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]pyrazin-2-yl]benzamide

C24H20FN5O3 — CID 127251175

IUPAC4-[3-[4-(6-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]pyrazin-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nccnc2C2CN(C(=O)c3cc4ccc(F)cc4[nH]3)CCO2)cc1
InChIInChI=1S/C24H20FN5O3/c25-17-6-5-16-11-19(29-18(16)12-17)24(32)30-9-10-33-20(13-30)22-21(27-7-8-28-22)14-1-3-15(4-2-14)23(26)31/h1-8,11-12,20,29H,9-10,13H2,(H2,26,31)
InChIKeyVNMNRCYKIIYKKZ-UHFFFAOYSA-N
MW445.45 g/mol
LogP3.08
Rot. Bonds4

About 4-[3-[4-(6-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]pyrazin-2-yl]benzamide

4-[3-[4-(6-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]pyrazin-2-yl]benzamide (PubChem CID 127251175) has the molecular formula C24H20FN5O3 and a molecular weight of 445.45 g/mol. Its IUPAC name is 4-[3-[4-(6-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name4-[3-[4-(6-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]pyrazin-2-yl]benzamide
PubChem CID127251175
Molecular FormulaC24H20FN5O3
Molecular Weight445.45 g/mol
Exact Mass445.16
IUPAC Name4-[3-[4-(6-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]pyrazin-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nccnc2C2CN(C(=O)c3cc4ccc(F)cc4[nH]3)CCO2)cc1
InChIInChI=1S/C24H20FN5O3/c25-17-6-5-16-11-19(29-18(16)12-17)24(32)30-9-10-33-20(13-30)22-21(27-7-8-28-22)14-1-3-15(4-2-14)23(26)31/h1-8,11-12,20,29H,9-10,13H2,(H2,26,31)
InChIKeyVNMNRCYKIIYKKZ-UHFFFAOYSA-N
XLogP3.08
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(6-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 4-[3-[4-(6-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]pyrazin-2-yl]benzamide (CID 127251175) is 4-[3-[4-(6-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 4-[3-[4-(6-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 4-[3-[4-(6-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]pyrazin-2-yl]benzamide is NC(=O)c1ccc(-c2nccnc2C2CN(C(=O)c3cc4ccc(F)cc4[nH]3)CCO2)cc1.
What is the InChIKey of 4-[3-[4-(6-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]pyrazin-2-yl]benzamide?
The InChIKey is VNMNRCYKIIYKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O3/c25-17-6-5-16-11-19(29-18(16)12-17)24(32)30-9-10-33-20(13-30)22-21(27-7-8-28-22)14-1-3-15(4-2-14)23(26)31/h1-8,11-12,20,29H,9-10,13H2,(H2,26,31).
What are the key properties of 4-[3-[4-(6-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]pyrazin-2-yl]benzamide?
4-[3-[4-(6-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]pyrazin-2-yl]benzamide has a molecular weight of 445.45 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(6-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 127251175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).