pyridin-3-yl 4-(6-fluoro-1H-indole-2-carbonyl)piperazine-1-carboxylate

C19H17FN4O3 — CID 58417800

IUPACpyridin-3-yl 4-(6-fluoro-1H-indole-2-carbonyl)piperazine-1-carboxylate
SMILESO=C(Oc1cccnc1)N1CCN(C(=O)c2cc3ccc(F)cc3[nH]2)CC1
InChIInChI=1S/C19H17FN4O3/c20-14-4-3-13-10-17(22-16(13)11-14)18(25)23-6-8-24(9-7-23)19(26)27-15-2-1-5-21-12-15/h1-5,10-12,22H,6-9H2
InChIKeyAAUSXAJRJGZJKT-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.66
Rot. Bonds2

About pyridin-3-yl 4-(6-fluoro-1H-indole-2-carbonyl)piperazine-1-carboxylate

pyridin-3-yl 4-(6-fluoro-1H-indole-2-carbonyl)piperazine-1-carboxylate (PubChem CID 58417800) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is pyridin-3-yl 4-(6-fluoro-1H-indole-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namepyridin-3-yl 4-(6-fluoro-1H-indole-2-carbonyl)piperazine-1-carboxylate
PubChem CID58417800
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Namepyridin-3-yl 4-(6-fluoro-1H-indole-2-carbonyl)piperazine-1-carboxylate
SMILESO=C(Oc1cccnc1)N1CCN(C(=O)c2cc3ccc(F)cc3[nH]2)CC1
InChIInChI=1S/C19H17FN4O3/c20-14-4-3-13-10-17(22-16(13)11-14)18(25)23-6-8-24(9-7-23)19(26)27-15-2-1-5-21-12-15/h1-5,10-12,22H,6-9H2
InChIKeyAAUSXAJRJGZJKT-UHFFFAOYSA-N
XLogP2.66
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl 4-(6-fluoro-1H-indole-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of pyridin-3-yl 4-(6-fluoro-1H-indole-2-carbonyl)piperazine-1-carboxylate (CID 58417800) is pyridin-3-yl 4-(6-fluoro-1H-indole-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for pyridin-3-yl 4-(6-fluoro-1H-indole-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for pyridin-3-yl 4-(6-fluoro-1H-indole-2-carbonyl)piperazine-1-carboxylate is O=C(Oc1cccnc1)N1CCN(C(=O)c2cc3ccc(F)cc3[nH]2)CC1.
What is the InChIKey of pyridin-3-yl 4-(6-fluoro-1H-indole-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is AAUSXAJRJGZJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c20-14-4-3-13-10-17(22-16(13)11-14)18(25)23-6-8-24(9-7-23)19(26)27-15-2-1-5-21-12-15/h1-5,10-12,22H,6-9H2.
What are the key properties of pyridin-3-yl 4-(6-fluoro-1H-indole-2-carbonyl)piperazine-1-carboxylate?
pyridin-3-yl 4-(6-fluoro-1H-indole-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 368.37 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 4-(6-fluoro-1H-indole-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 58417800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).