N-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide

C24H22FN5O2 — CID 139465914

IUPACN-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide
SMILESCOc1cccc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN4)n4ccncc34)cc2)c1F
InChIInChI=1S/C24H22FN5O2/c1-32-20-6-2-4-17(21(20)25)28-24(31)16-9-7-15(8-10-16)22-19-14-26-12-13-30(19)23(29-22)18-5-3-11-27-18/h2,4,6-10,12-14,18,27H,3,5,11H2,1H3,(H,28,31)/t18-/m0/s1
InChIKeyJLDXSZUTJCVUFV-SFHVURJKSA-N
MW431.47 g/mol
LogP4.22
Rot. Bonds5

About N-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide

N-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide (PubChem CID 139465914) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is N-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide
PubChem CID139465914
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC NameN-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide
SMILESCOc1cccc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN4)n4ccncc34)cc2)c1F
InChIInChI=1S/C24H22FN5O2/c1-32-20-6-2-4-17(21(20)25)28-24(31)16-9-7-15(8-10-16)22-19-14-26-12-13-30(19)23(29-22)18-5-3-11-27-18/h2,4,6-10,12-14,18,27H,3,5,11H2,1H3,(H,28,31)/t18-/m0/s1
InChIKeyJLDXSZUTJCVUFV-SFHVURJKSA-N
XLogP4.22
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide?
The IUPAC name of N-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide (CID 139465914) is N-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide.
What is the SMILES notation for N-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide?
The canonical SMILES for N-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide is COc1cccc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN4)n4ccncc34)cc2)c1F.
What is the InChIKey of N-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide?
The InChIKey is JLDXSZUTJCVUFV-SFHVURJKSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-32-20-6-2-4-17(21(20)25)28-24(31)16-9-7-15(8-10-16)22-19-14-26-12-13-30(19)23(29-22)18-5-3-11-27-18/h2,4,6-10,12-14,18,27H,3,5,11H2,1H3,(H,28,31)/t18-/m0/s1.
What are the key properties of N-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide?
N-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide has a molecular weight of 431.47 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide is sourced from PubChem (CID 139465914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).