[1-[3-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]oxypyrazin-2-yl]piperidin-4-yl]methanol

C23H27N5O2 — CID 58547819

IUPAC[1-[3-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]oxypyrazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nccnc2O[C@H]2CCN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C23H27N5O2/c29-16-17-7-12-27(13-8-17)22-23(25-11-10-24-22)30-19-9-14-28(15-19)21-6-5-18-3-1-2-4-20(18)26-21/h1-6,10-11,17,19,29H,7-9,12-16H2/t19-/m0/s1
InChIKeyYGAKMINSYVWRSM-IBGZPJMESA-N
MW405.50 g/mol
LogP2.89
Rot. Bonds5

About [1-[3-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]oxypyrazin-2-yl]piperidin-4-yl]methanol

[1-[3-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]oxypyrazin-2-yl]piperidin-4-yl]methanol (PubChem CID 58547819) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is [1-[3-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]oxypyrazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]oxypyrazin-2-yl]piperidin-4-yl]methanol
PubChem CID58547819
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name[1-[3-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]oxypyrazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nccnc2O[C@H]2CCN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C23H27N5O2/c29-16-17-7-12-27(13-8-17)22-23(25-11-10-24-22)30-19-9-14-28(15-19)21-6-5-18-3-1-2-4-20(18)26-21/h1-6,10-11,17,19,29H,7-9,12-16H2/t19-/m0/s1
InChIKeyYGAKMINSYVWRSM-IBGZPJMESA-N
XLogP2.89
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(3-{[1-(Quinolin-2-Yl)azetidin-3-Yl]oxy}pyrazin-2-Yl)piperidin-4-Yl]methanol
CID 58547833
[1-[6-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol
CID 58547807
1-[4-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone
CID 54670110
1-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carbonitrile
CID 54670394
2-[3-(3-Pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
CID 54670488
2-[3-[3-(2-Methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 54670489
2-[3-[3-(1-Methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 54671050
1-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carboxamide
CID 58547692
2-[3-(3-Pyridin-4-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
CID 58547740
[1-[3-(1-Quinazolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol
CID 58547742
4-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]morpholine
CID 58547786
2-[3-[3-[4-(Methoxymethyl)piperidin-1-yl]pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 58547789

Frequently Asked Questions

What is the IUPAC name of [1-[3-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]oxypyrazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]oxypyrazin-2-yl]piperidin-4-yl]methanol (CID 58547819) is [1-[3-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]oxypyrazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]oxypyrazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]oxypyrazin-2-yl]piperidin-4-yl]methanol is OCC1CCN(c2nccnc2O[C@H]2CCN(c3ccc4ccccc4n3)C2)CC1.
What is the InChIKey of [1-[3-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]oxypyrazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is YGAKMINSYVWRSM-IBGZPJMESA-N. The full InChI is InChI=1S/C23H27N5O2/c29-16-17-7-12-27(13-8-17)22-23(25-11-10-24-22)30-19-9-14-28(15-19)21-6-5-18-3-1-2-4-20(18)26-21/h1-6,10-11,17,19,29H,7-9,12-16H2/t19-/m0/s1.
What are the key properties of [1-[3-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]oxypyrazin-2-yl]piperidin-4-yl]methanol?
[1-[3-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]oxypyrazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 405.50 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]oxypyrazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 58547819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).