6-[[(2R)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoxaline

C24H23F2N5O — CID 92618640

IUPAC6-[[(2R)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoxaline
SMILESFc1ccc(OCCc2cc([C@H]3CCCN3Cc3ccc4nccnc4c3)n[nH]2)cc1F
InChIInChI=1S/C24H23F2N5O/c25-19-5-4-18(14-20(19)26)32-11-7-17-13-23(30-29-17)24-2-1-10-31(24)15-16-3-6-21-22(12-16)28-9-8-27-21/h3-6,8-9,12-14,24H,1-2,7,10-11,15H2,(H,29,30)/t24-/m1/s1
InChIKeyRMKDOABBZQPXSX-XMMPIXPASA-N
MW435.48 g/mol
LogP4.59
Rot. Bonds7

About 6-[[(2R)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoxaline

6-[[(2R)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoxaline (PubChem CID 92618640) has the molecular formula C24H23F2N5O and a molecular weight of 435.48 g/mol. Its IUPAC name is 6-[[(2R)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoxaline.

Molecular Properties

Compound Name6-[[(2R)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoxaline
PubChem CID92618640
Molecular FormulaC24H23F2N5O
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name6-[[(2R)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoxaline
SMILESFc1ccc(OCCc2cc([C@H]3CCCN3Cc3ccc4nccnc4c3)n[nH]2)cc1F
InChIInChI=1S/C24H23F2N5O/c25-19-5-4-18(14-20(19)26)32-11-7-17-13-23(30-29-17)24-2-1-10-31(24)15-16-3-6-21-22(12-16)28-9-8-27-21/h3-6,8-9,12-14,24H,1-2,7,10-11,15H2,(H,29,30)/t24-/m1/s1
InChIKeyRMKDOABBZQPXSX-XMMPIXPASA-N
XLogP4.59
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2S)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoline
CID 92621433
4-[[(2R)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
CID 92621431
3-[[2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
CID 110267631
3-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92732080
5-[(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole
CID 162799085
3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine
CID 92621480
1-[3-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 110261505
4-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 127244815
2-[(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-6-imidazol-1-ylpyridine
CID 95815752
5-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 95826979
1-[2-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110267670
pyridin-3-yl-[(2S)-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
CID 92621338

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoxaline?
The IUPAC name of 6-[[(2R)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoxaline (CID 92618640) is 6-[[(2R)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoxaline.
What is the SMILES notation for 6-[[(2R)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoxaline?
The canonical SMILES for 6-[[(2R)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoxaline is Fc1ccc(OCCc2cc([C@H]3CCCN3Cc3ccc4nccnc4c3)n[nH]2)cc1F.
What is the InChIKey of 6-[[(2R)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoxaline?
The InChIKey is RMKDOABBZQPXSX-XMMPIXPASA-N. The full InChI is InChI=1S/C24H23F2N5O/c25-19-5-4-18(14-20(19)26)32-11-7-17-13-23(30-29-17)24-2-1-10-31(24)15-16-3-6-21-22(12-16)28-9-8-27-21/h3-6,8-9,12-14,24H,1-2,7,10-11,15H2,(H,29,30)/t24-/m1/s1.
What are the key properties of 6-[[(2R)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoxaline?
6-[[(2R)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoxaline has a molecular weight of 435.48 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]quinoxaline is sourced from PubChem (CID 92618640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).