[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-[(2S)-2-(methoxymethyl)cyclopentyl]methanone

C26H26FN5O2 — CID 155227736

IUPAC[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-[(2S)-2-(methoxymethyl)cyclopentyl]methanone
SMILESCOC[C@H]1CCCC1C(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C26H26FN5O2/c1-15-12-29-21-11-8-17(13-32(15)21)23-22(16-6-9-19(27)10-7-16)31-26(28)24(30-23)25(33)20-5-3-4-18(20)14-34-2/h6-13,18,20H,3-5,14H2,1-2H3,(H2,28,31)/t18-,20?/m1/s1
InChIKeyBJRRHKZGSTYRGS-QSVWIEALSA-N
MW459.53 g/mol
LogP4.73
Rot. Bonds6

About [3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-[(2S)-2-(methoxymethyl)cyclopentyl]methanone

[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-[(2S)-2-(methoxymethyl)cyclopentyl]methanone (PubChem CID 155227736) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is [3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-[(2S)-2-(methoxymethyl)cyclopentyl]methanone.

Molecular Properties

Compound Name[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-[(2S)-2-(methoxymethyl)cyclopentyl]methanone
PubChem CID155227736
Molecular FormulaC26H26FN5O2
Molecular Weight459.53 g/mol
Exact Mass459.21
IUPAC Name[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-[(2S)-2-(methoxymethyl)cyclopentyl]methanone
SMILESCOC[C@H]1CCCC1C(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C26H26FN5O2/c1-15-12-29-21-11-8-17(13-32(15)21)23-22(16-6-9-19(27)10-7-16)31-26(28)24(30-23)25(33)20-5-3-4-18(20)14-34-2/h6-13,18,20H,3-5,14H2,1-2H3,(H2,28,31)/t18-,20?/m1/s1
InChIKeyBJRRHKZGSTYRGS-QSVWIEALSA-N
XLogP4.73
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-[(2S)-2-(methoxymethyl)cyclopentyl]methanone?
The IUPAC name of [3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-[(2S)-2-(methoxymethyl)cyclopentyl]methanone (CID 155227736) is [3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-[(2S)-2-(methoxymethyl)cyclopentyl]methanone.
What is the SMILES notation for [3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-[(2S)-2-(methoxymethyl)cyclopentyl]methanone?
The canonical SMILES for [3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-[(2S)-2-(methoxymethyl)cyclopentyl]methanone is COC[C@H]1CCCC1C(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-c2ccc(F)cc2)nc1N.
What is the InChIKey of [3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-[(2S)-2-(methoxymethyl)cyclopentyl]methanone?
The InChIKey is BJRRHKZGSTYRGS-QSVWIEALSA-N. The full InChI is InChI=1S/C26H26FN5O2/c1-15-12-29-21-11-8-17(13-32(15)21)23-22(16-6-9-19(27)10-7-16)31-26(28)24(30-23)25(33)20-5-3-4-18(20)14-34-2/h6-13,18,20H,3-5,14H2,1-2H3,(H2,28,31)/t18-,20?/m1/s1.
What are the key properties of [3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-[(2S)-2-(methoxymethyl)cyclopentyl]methanone?
[3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-[(2S)-2-(methoxymethyl)cyclopentyl]methanone has a molecular weight of 459.53 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-[(2S)-2-(methoxymethyl)cyclopentyl]methanone is sourced from PubChem (CID 155227736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).