[(3S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]methanol

C21H23N5O — CID 58547171

IUPAC[(3S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C21H23N5O/c27-14-15-7-10-25(11-15)21-20(22-8-9-23-21)17-12-26(13-17)19-6-5-16-3-1-2-4-18(16)24-19/h1-6,8-9,15,17,27H,7,10-14H2/t15-/m0/s1
InChIKeyKGOKXBZNJCYRPJ-HNNXBMFYSA-N
MW361.45 g/mol
LogP2.45
Rot. Bonds4

About [(3S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]methanol

[(3S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]methanol (PubChem CID 58547171) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is [(3S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]methanol
PubChem CID58547171
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name[(3S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C21H23N5O/c27-14-15-7-10-25(11-15)21-20(22-8-9-23-21)17-12-26(13-17)19-6-5-16-3-1-2-4-18(16)24-19/h1-6,8-9,15,17,27H,7,10-14H2/t15-/m0/s1
InChIKeyKGOKXBZNJCYRPJ-HNNXBMFYSA-N
XLogP2.45
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]methanol (CID 58547171) is [(3S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]methanol is OC[C@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1.
What is the InChIKey of [(3S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]methanol?
The InChIKey is KGOKXBZNJCYRPJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-14-15-7-10-25(11-15)21-20(22-8-9-23-21)17-12-26(13-17)19-6-5-16-3-1-2-4-18(16)24-19/h1-6,8-9,15,17,27H,7,10-14H2/t15-/m0/s1.
What are the key properties of [(3S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]methanol?
[(3S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]methanol has a molecular weight of 361.45 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 58547171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).