acetic acid;2-[(4R)-1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxy-5-pyrrolidin-1-ylpyrazine

C22H30ClN5O4 — CID 144958806

IUPACacetic acid;2-[(4R)-1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxy-5-pyrrolidin-1-ylpyrazine
SMILESCC(=O)O.COc1cc(N2CC[C@@H](Oc3cnc(N4CCCC4)cn3)C(C)C2)c(Cl)cn1
InChIInChI=1S/C20H26ClN5O2.C2H4O2/c1-14-13-26(16-9-19(27-2)23-10-15(16)21)8-5-17(14)28-20-12-22-18(11-24-20)25-6-3-4-7-25;1-2(3)4/h9-12,14,17H,3-8,13H2,1-2H3;1H3,(H,3,4)/t14?,17-;/m1./s1
InChIKeyIEJDORNHFYDDKM-JZABEEBUSA-N
MW463.97 g/mol
LogP3.52
Rot. Bonds5

About acetic acid;2-[(4R)-1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxy-5-pyrrolidin-1-ylpyrazine

acetic acid;2-[(4R)-1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxy-5-pyrrolidin-1-ylpyrazine (PubChem CID 144958806) has the molecular formula C22H30ClN5O4 and a molecular weight of 463.97 g/mol. Its IUPAC name is acetic acid;2-[(4R)-1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxy-5-pyrrolidin-1-ylpyrazine.

Molecular Properties

Compound Nameacetic acid;2-[(4R)-1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxy-5-pyrrolidin-1-ylpyrazine
PubChem CID144958806
Molecular FormulaC22H30ClN5O4
Molecular Weight463.97 g/mol
Exact Mass463.20
IUPAC Nameacetic acid;2-[(4R)-1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxy-5-pyrrolidin-1-ylpyrazine
SMILESCC(=O)O.COc1cc(N2CC[C@@H](Oc3cnc(N4CCCC4)cn3)C(C)C2)c(Cl)cn1
InChIInChI=1S/C20H26ClN5O2.C2H4O2/c1-14-13-26(16-9-19(27-2)23-10-15(16)21)8-5-17(14)28-20-12-22-18(11-24-20)25-6-3-4-7-25;1-2(3)4/h9-12,14,17H,3-8,13H2,1-2H3;1H3,(H,3,4)/t14?,17-;/m1./s1
InChIKeyIEJDORNHFYDDKM-JZABEEBUSA-N
XLogP3.52
TPSA100.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze acetic acid;2-[(4R)-1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxy-5-pyrrolidin-1-ylpyrazine with MolForge

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Launch Full Analysis

Related Compounds

bis(2-[(2S,4R)-1-[5-[(3R,4R)-1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxypyrazin-2-yl]-4-methylpyrrolidin-2-yl]acetic acid);bis(2-[(2R,4R)-1-[5-[(3R,4R)-1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxypyrazin-2-yl]-4-methylpyrrolidin-2-yl]acetic acid)
CID 159768922
5-chloro-4-[4-(3,5-difluoro-4-pyrrolidin-1-ylphenoxy)-3-methylpiperidin-1-yl]-2-methoxypyridine
CID 144629737
5-chloro-4-[4-[(5-iodo-2-pyridinyl)oxy]-3-methylpiperidin-1-yl]-2-methoxypyridine
CID 118497284
2-[1-[6-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxy-3-pyridinyl]-4,4-dimethylpyrrolidin-2-yl]acetic acid
CID 123350042
2-[1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-methoxypyrrolidin-2-yl]acetic acid
CID 144629716
2-[(2R,3R,4R)-1-[6-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxy-5-fluoro-3-pyridinyl]-3,4-dimethylpyrrolidin-2-yl]acetic acid
CID 130252400
2-[(2S,3S,4S)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-3-fluoro-4-methoxypyrrolidin-2-yl]acetic acid
CID 90175579
2-[(2S,3R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-3-methyl-4-(trifluoromethyl)pyrrolidin-2-yl]acetic acid
CID 90175580
2-[(2S,3S,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-3-methyl-4-propoxypyrrolidin-2-yl]acetic acid
CID 90157821
2-[(2S,3S,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxy-2-fluorophenyl]-4-methoxy-3-methylpyrrolidin-2-yl]acetic acid
CID 90175578
(E)-6-[4-[(3R,4R)-1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyanilino]-5-(3-methoxypropoxy)-4-methylhex-2-enoic acid
CID 118497229
2-[(2S,3S,4R)-1-[4-[(3R,4R)-1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-(3-ethoxypropoxy)-3-methylpyrrolidin-2-yl]acetic acid
CID 171350813

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[(4R)-1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxy-5-pyrrolidin-1-ylpyrazine?
The IUPAC name of acetic acid;2-[(4R)-1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxy-5-pyrrolidin-1-ylpyrazine (CID 144958806) is acetic acid;2-[(4R)-1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxy-5-pyrrolidin-1-ylpyrazine.
What is the SMILES notation for acetic acid;2-[(4R)-1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxy-5-pyrrolidin-1-ylpyrazine?
The canonical SMILES for acetic acid;2-[(4R)-1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxy-5-pyrrolidin-1-ylpyrazine is CC(=O)O.COc1cc(N2CC[C@@H](Oc3cnc(N4CCCC4)cn3)C(C)C2)c(Cl)cn1.
What is the InChIKey of acetic acid;2-[(4R)-1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxy-5-pyrrolidin-1-ylpyrazine?
The InChIKey is IEJDORNHFYDDKM-JZABEEBUSA-N. The full InChI is InChI=1S/C20H26ClN5O2.C2H4O2/c1-14-13-26(16-9-19(27-2)23-10-15(16)21)8-5-17(14)28-20-12-22-18(11-24-20)25-6-3-4-7-25;1-2(3)4/h9-12,14,17H,3-8,13H2,1-2H3;1H3,(H,3,4)/t14?,17-;/m1./s1.
What are the key properties of acetic acid;2-[(4R)-1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxy-5-pyrrolidin-1-ylpyrazine?
acetic acid;2-[(4R)-1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxy-5-pyrrolidin-1-ylpyrazine has a molecular weight of 463.97 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[(4R)-1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxy-5-pyrrolidin-1-ylpyrazine is sourced from PubChem (CID 144958806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).