1-[(2R)-2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyrazin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone

C25H25N5O3 — CID 44815983

IUPAC1-[(2R)-2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyrazin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone
SMILESCOCc1ccc(Oc2cc3cc(-c4cnccn4)[nH]c3cc2[C@H]2CCCN2C(C)=O)cn1
InChIInChI=1S/C25H25N5O3/c1-16(31)30-9-3-4-24(30)20-12-21-17(10-22(29-21)23-14-26-7-8-27-23)11-25(20)33-19-6-5-18(15-32-2)28-13-19/h5-8,10-14,24,29H,3-4,9,15H2,1-2H3/t24-/m1/s1
InChIKeyYHPWDNNZUXYBDB-XMMPIXPASA-N
MW443.51 g/mol
LogP4.64
Rot. Bonds6

About 1-[(2R)-2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyrazin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyrazin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone (PubChem CID 44815983) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 1-[(2R)-2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyrazin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyrazin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone
PubChem CID44815983
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name1-[(2R)-2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyrazin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone
SMILESCOCc1ccc(Oc2cc3cc(-c4cnccn4)[nH]c3cc2[C@H]2CCCN2C(C)=O)cn1
InChIInChI=1S/C25H25N5O3/c1-16(31)30-9-3-4-24(30)20-12-21-17(10-22(29-21)23-14-26-7-8-27-23)11-25(20)33-19-6-5-18(15-32-2)28-13-19/h5-8,10-14,24,29H,3-4,9,15H2,1-2H3/t24-/m1/s1
InChIKeyYHPWDNNZUXYBDB-XMMPIXPASA-N
XLogP4.64
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyrazin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyrazin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone (CID 44815983) is 1-[(2R)-2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyrazin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyrazin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyrazin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone is COCc1ccc(Oc2cc3cc(-c4cnccn4)[nH]c3cc2[C@H]2CCCN2C(C)=O)cn1.
What is the InChIKey of 1-[(2R)-2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyrazin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is YHPWDNNZUXYBDB-XMMPIXPASA-N. The full InChI is InChI=1S/C25H25N5O3/c1-16(31)30-9-3-4-24(30)20-12-21-17(10-22(29-21)23-14-26-7-8-27-23)11-25(20)33-19-6-5-18(15-32-2)28-13-19/h5-8,10-14,24,29H,3-4,9,15H2,1-2H3/t24-/m1/s1.
What are the key properties of 1-[(2R)-2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyrazin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone?
1-[(2R)-2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyrazin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 443.51 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyrazin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 44815983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).