[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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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).