(2S)-2-[8-amino-1-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylic acid

C23H22N6O3 — CID 146255710

IUPAC(2S)-2-[8-amino-1-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylic acid
SMILESNc1nccn2c([C@@H]3CCCN3C(=O)O)nc(-c3ccc(OCc4ccccn4)cc3)c12
InChIInChI=1S/C23H22N6O3/c24-21-20-19(15-6-8-17(9-7-15)32-14-16-4-1-2-10-25-16)27-22(29(20)13-11-26-21)18-5-3-12-28(18)23(30)31/h1-2,4,6-11,13,18H,3,5,12,14H2,(H2,24,26)(H,30,31)/t18-/m0/s1
InChIKeySCAQUNDHXKDDHQ-SFHVURJKSA-N
MW430.47 g/mol
LogP3.77
Rot. Bonds5

About (2S)-2-[8-amino-1-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylic acid

(2S)-2-[8-amino-1-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylic acid (PubChem CID 146255710) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is (2S)-2-[8-amino-1-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[8-amino-1-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylic acid
PubChem CID146255710
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name(2S)-2-[8-amino-1-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylic acid
SMILESNc1nccn2c([C@@H]3CCCN3C(=O)O)nc(-c3ccc(OCc4ccccn4)cc3)c12
InChIInChI=1S/C23H22N6O3/c24-21-20-19(15-6-8-17(9-7-15)32-14-16-4-1-2-10-25-16)27-22(29(20)13-11-26-21)18-5-3-12-28(18)23(30)31/h1-2,4,6-11,13,18H,3,5,12,14H2,(H2,24,26)(H,30,31)/t18-/m0/s1
InChIKeySCAQUNDHXKDDHQ-SFHVURJKSA-N
XLogP3.77
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[8-amino-1-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one
CID 146255691
2-[8-amino-1-(6-phenylmethoxy-3-pyridinyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylic acid
CID 146255681
1-[2-[8-amino-1-[4-(2-phenylethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one
CID 146255695
tert-butyl (2S)-2-[8-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate
CID 141476407
4-[8-amino-3-(1-but-2-ynoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 71226663
4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;benzyl (2S)-2-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate
CID 159366533
4-[8-amino-3-[(2S)-1-but-2-enoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 123914394
4-[8-amino-3-[(2S)-1-[(E)-but-2-enoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 71607919
4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-phenylbenzamide
CID 139304195
4-[8-amino-3-(1-but-2-ynoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-methyl-N-pyridin-2-ylbenzamide;ethane
CID 142457361
1-(4-phenylmethoxyphenyl)-3-pyrrolidin-2-ylimidazo[1,5-a]pyrazin-8-amine
CID 146255696
4-[8-amino-3-[(2S)-1-(2-chloropyrimidine-4-carbonyl)pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 71607582

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[8-amino-1-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-[8-amino-1-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylic acid (CID 146255710) is (2S)-2-[8-amino-1-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-[8-amino-1-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-[8-amino-1-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylic acid is Nc1nccn2c([C@@H]3CCCN3C(=O)O)nc(-c3ccc(OCc4ccccn4)cc3)c12.
What is the InChIKey of (2S)-2-[8-amino-1-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylic acid?
The InChIKey is SCAQUNDHXKDDHQ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H22N6O3/c24-21-20-19(15-6-8-17(9-7-15)32-14-16-4-1-2-10-25-16)27-22(29(20)13-11-26-21)18-5-3-12-28(18)23(30)31/h1-2,4,6-11,13,18H,3,5,12,14H2,(H2,24,26)(H,30,31)/t18-/m0/s1.
What are the key properties of (2S)-2-[8-amino-1-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylic acid?
(2S)-2-[8-amino-1-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylic acid has a molecular weight of 430.47 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[8-amino-1-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 146255710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).