[6-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C21H26FN5O — CID 135093411

IUPAC[6-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cncc(NCC(c2ccccc2F)N2CCCC2)n1)N1CCCC1
InChIInChI=1S/C21H26FN5O/c22-17-8-2-1-7-16(17)19(26-9-3-4-10-26)14-24-20-15-23-13-18(25-20)21(28)27-11-5-6-12-27/h1-2,7-8,13,15,19H,3-6,9-12,14H2,(H,24,25)
InChIKeyHAKCILJRQANSLL-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.10
Rot. Bonds6

About [6-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[6-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 135093411) has the molecular formula C21H26FN5O and a molecular weight of 383.47 g/mol. Its IUPAC name is [6-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID135093411
Molecular FormulaC21H26FN5O
Molecular Weight383.47 g/mol
Exact Mass383.21
IUPAC Name[6-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cncc(NCC(c2ccccc2F)N2CCCC2)n1)N1CCCC1
InChIInChI=1S/C21H26FN5O/c22-17-8-2-1-7-16(17)19(26-9-3-4-10-26)14-24-20-15-23-13-18(25-20)21(28)27-11-5-6-12-27/h1-2,7-8,13,15,19H,3-6,9-12,14H2,(H,24,25)
InChIKeyHAKCILJRQANSLL-UHFFFAOYSA-N
XLogP3.10
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidin-4-amine
CID 97151283
[6-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 131952839
4,4,4-trifluoro-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 125170249
2-ethyl-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide
CID 72935954
[6-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 134696530
N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91829882
N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 92581576
[6-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone
CID 97135307
[6-[(2-methyl-1-pyridin-3-ylpropyl)amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 134711585
[6-[(3-ethylimidazol-4-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 134710262
N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97124934
[6-[(4-benzyl-1,4-oxazepan-2-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135117721

Frequently Asked Questions

What is the IUPAC name of [6-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 135093411) is [6-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1cncc(NCC(c2ccccc2F)N2CCCC2)n1)N1CCCC1.
What is the InChIKey of [6-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is HAKCILJRQANSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O/c22-17-8-2-1-7-16(17)19(26-9-3-4-10-26)14-24-20-15-23-13-18(25-20)21(28)27-11-5-6-12-27/h1-2,7-8,13,15,19H,3-6,9-12,14H2,(H,24,25).
What are the key properties of [6-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[6-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 383.47 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 135093411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).