[(2R)-1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]pyrrolidin-2-yl]methanol

C20H21N5O2 — CID 46832619

IUPAC[(2R)-1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1nccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C20H21N5O2/c26-14-16-4-3-13-25(16)19-20(23-12-11-22-19)27-17-8-6-15(7-9-17)24-18-5-1-2-10-21-18/h1-2,5-12,16,26H,3-4,13-14H2,(H,21,24)/t16-/m1/s1
InChIKeyFIFPJHZEOCRFPJ-MRXNPFEDSA-N
MW363.42 g/mol
LogP3.37
Rot. Bonds6

About [(2R)-1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]pyrrolidin-2-yl]methanol

[(2R)-1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 46832619) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is [(2R)-1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID46832619
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name[(2R)-1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1nccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C20H21N5O2/c26-14-16-4-3-13-25(16)19-20(23-12-11-22-19)27-17-8-6-15(7-9-17)24-18-5-1-2-10-21-18/h1-2,5-12,16,26H,3-4,13-14H2,(H,21,24)/t16-/m1/s1
InChIKeyFIFPJHZEOCRFPJ-MRXNPFEDSA-N
XLogP3.37
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]pyrrolidin-2-yl]methanol (CID 46832619) is [(2R)-1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1c1nccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of [(2R)-1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is FIFPJHZEOCRFPJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-14-16-4-3-13-25(16)19-20(23-12-11-22-19)27-17-8-6-15(7-9-17)24-18-5-1-2-10-21-18/h1-2,5-12,16,26H,3-4,13-14H2,(H,21,24)/t16-/m1/s1.
What are the key properties of [(2R)-1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]pyrrolidin-2-yl]methanol?
[(2R)-1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 363.42 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 46832619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).