N-(4-methoxy-2-pyridinyl)-4-[8-methyl-3-(1-prop-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]benzamide

C27H26N6O3 — CID 78094037

IUPACN-(4-methoxy-2-pyridinyl)-4-[8-methyl-3-(1-prop-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]benzamide
SMILESC=CC(=O)N1CCCC1c1nc(-c2ccc(C(=O)Nc3cc(OC)ccn3)cc2)c2c(C)nccn12
InChIInChI=1S/C27H26N6O3/c1-4-23(34)32-14-5-6-21(32)26-31-24(25-17(2)28-13-15-33(25)26)18-7-9-19(10-8-18)27(35)30-22-16-20(36-3)11-12-29-22/h4,7-13,15-16,21H,1,5-6,14H2,2-3H3,(H,29,30,35)
InChIKeyOPELHLHHRKSOEG-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.21
Rot. Bonds6

About N-(4-methoxy-2-pyridinyl)-4-[8-methyl-3-(1-prop-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]benzamide

N-(4-methoxy-2-pyridinyl)-4-[8-methyl-3-(1-prop-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]benzamide (PubChem CID 78094037) has the molecular formula C27H26N6O3 and a molecular weight of 482.54 g/mol. Its IUPAC name is N-(4-methoxy-2-pyridinyl)-4-[8-methyl-3-(1-prop-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]benzamide.

Molecular Properties

Compound NameN-(4-methoxy-2-pyridinyl)-4-[8-methyl-3-(1-prop-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]benzamide
PubChem CID78094037
Molecular FormulaC27H26N6O3
Molecular Weight482.54 g/mol
Exact Mass482.21
IUPAC NameN-(4-methoxy-2-pyridinyl)-4-[8-methyl-3-(1-prop-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]benzamide
SMILESC=CC(=O)N1CCCC1c1nc(-c2ccc(C(=O)Nc3cc(OC)ccn3)cc2)c2c(C)nccn12
InChIInChI=1S/C27H26N6O3/c1-4-23(34)32-14-5-6-21(32)26-31-24(25-17(2)28-13-15-33(25)26)18-7-9-19(10-8-18)27(35)30-22-16-20(36-3)11-12-29-22/h4,7-13,15-16,21H,1,5-6,14H2,2-3H3,(H,29,30,35)
InChIKeyOPELHLHHRKSOEG-UHFFFAOYSA-N
XLogP4.21
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[8-amino-3-(1-prop-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 78131087
4-[8-amino-3-(1-prop-2-enoylpiperidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 123273568
4-[8-amino-3-[(2S)-1-prop-2-enoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propyl-2-pyridinyl)benzamide
CID 71607802
4-[8-amino-3-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-fluoro-2-pyridinyl)benzamide
CID 71607624
4-[3-[(2S)-1-[(E)-4-methoxybut-2-enoyl]piperidin-2-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 71513831
4-[8-amino-3-[(2S)-1-prop-2-enoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclohexa-1,5-dien-1-yl-2-pyridinyl)benzamide
CID 163392570
4-[8-amino-3-(1-prop-2-enoylpiperidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 78131293
4-[8-methyl-3-[1-(4-pyrrolidin-1-ylbut-2-enoyl)pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 78093791
1-[(2S)-2-[8-methyl-1-[4-(3-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 135337614
4-[3-(1-prop-2-enoylpiperidin-2-yl)-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 139465830
4-[3-[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-2-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 71514531
4-[3-[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-2-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 90186123

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-pyridinyl)-4-[8-methyl-3-(1-prop-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]benzamide?
The IUPAC name of N-(4-methoxy-2-pyridinyl)-4-[8-methyl-3-(1-prop-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]benzamide (CID 78094037) is N-(4-methoxy-2-pyridinyl)-4-[8-methyl-3-(1-prop-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]benzamide.
What is the SMILES notation for N-(4-methoxy-2-pyridinyl)-4-[8-methyl-3-(1-prop-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]benzamide?
The canonical SMILES for N-(4-methoxy-2-pyridinyl)-4-[8-methyl-3-(1-prop-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]benzamide is C=CC(=O)N1CCCC1c1nc(-c2ccc(C(=O)Nc3cc(OC)ccn3)cc2)c2c(C)nccn12.
What is the InChIKey of N-(4-methoxy-2-pyridinyl)-4-[8-methyl-3-(1-prop-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]benzamide?
The InChIKey is OPELHLHHRKSOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O3/c1-4-23(34)32-14-5-6-21(32)26-31-24(25-17(2)28-13-15-33(25)26)18-7-9-19(10-8-18)27(35)30-22-16-20(36-3)11-12-29-22/h4,7-13,15-16,21H,1,5-6,14H2,2-3H3,(H,29,30,35).
What are the key properties of N-(4-methoxy-2-pyridinyl)-4-[8-methyl-3-(1-prop-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]benzamide?
N-(4-methoxy-2-pyridinyl)-4-[8-methyl-3-(1-prop-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]benzamide has a molecular weight of 482.54 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-pyridinyl)-4-[8-methyl-3-(1-prop-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]benzamide is sourced from PubChem (CID 78094037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).