[3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone

C23H23Cl2N5O2 — CID 58885731

IUPAC[3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone
SMILESCC(Oc1nc(-c2cccc(C(=O)N3CC[C@@H](N)C3)c2)cnc1N)c1c(Cl)cccc1Cl
InChIInChI=1S/C23H23Cl2N5O2/c1-13(20-17(24)6-3-7-18(20)25)32-22-21(27)28-11-19(29-22)14-4-2-5-15(10-14)23(31)30-9-8-16(26)12-30/h2-7,10-11,13,16H,8-9,12,26H2,1H3,(H2,27,28)/t13?,16-/m1/s1
InChIKeyAXKAQGGORULRRN-FQNRMIAFSA-N
MW472.38 g/mol
LogP4.35
Rot. Bonds5

About [3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone

[3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone (PubChem CID 58885731) has the molecular formula C23H23Cl2N5O2 and a molecular weight of 472.38 g/mol. Its IUPAC name is [3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone
PubChem CID58885731
Molecular FormulaC23H23Cl2N5O2
Molecular Weight472.38 g/mol
Exact Mass471.12
IUPAC Name[3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone
SMILESCC(Oc1nc(-c2cccc(C(=O)N3CC[C@@H](N)C3)c2)cnc1N)c1c(Cl)cccc1Cl
InChIInChI=1S/C23H23Cl2N5O2/c1-13(20-17(24)6-3-7-18(20)25)32-22-21(27)28-11-19(29-22)14-4-2-5-15(10-14)23(31)30-9-8-16(26)12-30/h2-7,10-11,13,16H,8-9,12,26H2,1H3,(H2,27,28)/t13?,16-/m1/s1
InChIKeyAXKAQGGORULRRN-FQNRMIAFSA-N
XLogP4.35
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.38
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 21111106
[3-[5-amino-6-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-yl]phenyl]-[(3S)-3-aminopyrrolidin-1-yl]methanone
CID 58886205
[3-[5-amino-6-[1-(2-chloro-3,6-difluorophenyl)ethoxy]pyrazin-2-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 58885739
3-[(1R)-1-(2,6-dichlorophenyl)ethoxy]-5-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrazin-2-amine
CID 175244930
[3-[6-amino-5-[1-(2,6-dichlorophenyl)ethoxy]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 21110839
4-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 21111178
[4-[5-amino-6-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-yl]phenyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone
CID 58886032
3-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]benzamide
CID 58886411
(3-aminopyrrolidin-1-yl)-(3,4-dichlorophenyl)methanone
CID 59657843
[(3S)-3-aminopyrrolidin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 124682177
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyrazin-2-amine
CID 141136428
[4-[6-amino-5-[(2-chloro-6-fluorophenyl)methoxy]-3-pyridinyl]phenyl]-[(3S)-3-aminopyrrolidin-1-yl]methanone
CID 58886220

Frequently Asked Questions

What is the IUPAC name of [3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone?
The IUPAC name of [3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone (CID 58885731) is [3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone?
The canonical SMILES for [3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone is CC(Oc1nc(-c2cccc(C(=O)N3CC[C@@H](N)C3)c2)cnc1N)c1c(Cl)cccc1Cl.
What is the InChIKey of [3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone?
The InChIKey is AXKAQGGORULRRN-FQNRMIAFSA-N. The full InChI is InChI=1S/C23H23Cl2N5O2/c1-13(20-17(24)6-3-7-18(20)25)32-22-21(27)28-11-19(29-22)14-4-2-5-15(10-14)23(31)30-9-8-16(26)12-30/h2-7,10-11,13,16H,8-9,12,26H2,1H3,(H2,27,28)/t13?,16-/m1/s1.
What are the key properties of [3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone?
[3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone has a molecular weight of 472.38 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-[(3R)-3-aminopyrrolidin-1-yl]methanone is sourced from PubChem (CID 58885731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).