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

C21H23N5O — CID 58547100

IUPAC[(2S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1nccnc1C1CN(c2ccc3ccccc3n2)C1
InChIInChI=1S/C21H23N5O/c27-14-17-5-3-11-26(17)21-20(22-9-10-23-21)16-12-25(13-16)19-8-7-15-4-1-2-6-18(15)24-19/h1-2,4,6-10,16-17,27H,3,5,11-14H2/t17-/m0/s1
InChIKeyHAHAZJXIVVZJCE-KRWDZBQOSA-N
MW361.45 g/mol
LogP2.59
Rot. Bonds4

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

[(2S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 58547100) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is [(2S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID58547100
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name[(2S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1nccnc1C1CN(c2ccc3ccccc3n2)C1
InChIInChI=1S/C21H23N5O/c27-14-17-5-3-11-26(17)21-20(22-9-10-23-21)16-12-25(13-16)19-8-7-15-4-1-2-6-18(15)24-19/h1-2,4,6-10,16-17,27H,3,5,11-14H2/t17-/m0/s1
InChIKeyHAHAZJXIVVZJCE-KRWDZBQOSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-2-yl]methanol (CID 58547100) is [(2S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1c1nccnc1C1CN(c2ccc3ccccc3n2)C1.
What is the InChIKey of [(2S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is HAHAZJXIVVZJCE-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23N5O/c27-14-17-5-3-11-26(17)21-20(22-9-10-23-21)16-12-25(13-16)19-8-7-15-4-1-2-6-18(15)24-19/h1-2,4,6-10,16-17,27H,3,5,11-14H2/t17-/m0/s1.
What are the key properties of [(2S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-2-yl]methanol?
[(2S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 361.45 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 58547100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).