1-(4-phenylmethoxyphenyl)-3-pyrrolidin-2-ylimidazo[1,5-a]pyrazin-8-amine

C23H23N5O — CID 146255696

IUPAC1-(4-phenylmethoxyphenyl)-3-pyrrolidin-2-ylimidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCCN3)nc(-c3ccc(OCc4ccccc4)cc3)c12
InChIInChI=1S/C23H23N5O/c24-22-21-20(27-23(19-7-4-12-25-19)28(21)14-13-26-22)17-8-10-18(11-9-17)29-15-16-5-2-1-3-6-16/h1-3,5-6,8-11,13-14,19,25H,4,7,12,15H2,(H2,24,26)
InChIKeyNCJXPWBRHHKRMB-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.98
Rot. Bonds5

About 1-(4-phenylmethoxyphenyl)-3-pyrrolidin-2-ylimidazo[1,5-a]pyrazin-8-amine

1-(4-phenylmethoxyphenyl)-3-pyrrolidin-2-ylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 146255696) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-(4-phenylmethoxyphenyl)-3-pyrrolidin-2-ylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-(4-phenylmethoxyphenyl)-3-pyrrolidin-2-ylimidazo[1,5-a]pyrazin-8-amine
PubChem CID146255696
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name1-(4-phenylmethoxyphenyl)-3-pyrrolidin-2-ylimidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCCN3)nc(-c3ccc(OCc4ccccc4)cc3)c12
InChIInChI=1S/C23H23N5O/c24-22-21-20(27-23(19-7-4-12-25-19)28(21)14-13-26-22)17-8-10-18(11-9-17)29-15-16-5-2-1-3-6-16/h1-3,5-6,8-11,13-14,19,25H,4,7,12,15H2,(H2,24,26)
InChIKeyNCJXPWBRHHKRMB-UHFFFAOYSA-N
XLogP3.98
TPSA77.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
benzyl formate;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine
CID 146482911
4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;sulfane
CID 165008323
trans-(1R,2R)-2-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide
CID 142682586
(2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
CID 171196054
(2S)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
CID 171196463
4-(4-phenylmethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 113229452
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
(2S)-2-[8-amino-1-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylic acid
CID 146255710
4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-pyridazin-3-ylbenzamide
CID 71226584
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-pyrrolidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-(5-methyl-2-pyridinyl)benzamide;ethane
CID 145306186

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxyphenyl)-3-pyrrolidin-2-ylimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-(4-phenylmethoxyphenyl)-3-pyrrolidin-2-ylimidazo[1,5-a]pyrazin-8-amine (CID 146255696) is 1-(4-phenylmethoxyphenyl)-3-pyrrolidin-2-ylimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-(4-phenylmethoxyphenyl)-3-pyrrolidin-2-ylimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-(4-phenylmethoxyphenyl)-3-pyrrolidin-2-ylimidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCCN3)nc(-c3ccc(OCc4ccccc4)cc3)c12.
What is the InChIKey of 1-(4-phenylmethoxyphenyl)-3-pyrrolidin-2-ylimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is NCJXPWBRHHKRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c24-22-21-20(27-23(19-7-4-12-25-19)28(21)14-13-26-22)17-8-10-18(11-9-17)29-15-16-5-2-1-3-6-16/h1-3,5-6,8-11,13-14,19,25H,4,7,12,15H2,(H2,24,26).
What are the key properties of 1-(4-phenylmethoxyphenyl)-3-pyrrolidin-2-ylimidazo[1,5-a]pyrazin-8-amine?
1-(4-phenylmethoxyphenyl)-3-pyrrolidin-2-ylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 385.47 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxyphenyl)-3-pyrrolidin-2-ylimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 146255696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).