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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Related Compounds

N-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
CID 10454026
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11165673
1H-indol-2-yl-[4-(3-isopropoxy-2-pyridyl)piperazin-1-yl]methanone
CID 468307
1-(4-benzoyl-2-methylidenepiperazin-1-yl)-2-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 122187065
1H-indol-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 455444
5-methoxy-N,N-bis(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
CID 2809798
(5-fluoro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4912133
[4-(2-ethoxyphenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 455390
[4-[(3-ethoxy-2-pyridyl)-methyl-amino]-1-piperidyl]-(1H-indol-2-yl)methanone
CID 468316
1H-indol-2-yl-[4-[(3-isopropoxy-2-pyridyl)-methyl-amino]-1-piperidyl]methanone
CID 468317
1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
CID 7087092
5-fluoro-N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 25141538

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).