8-amino-3-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]-N-[3-[[(3-fluorophenyl)carbamoylamino]methyl]phenyl]imidazo[1,5-a]pyrazine-1-carboxamide

C28H31FN8O4 — CID 25125210

IUPAC8-amino-3-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]-N-[3-[[(3-fluorophenyl)carbamoylamino]methyl]phenyl]imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCCN(CCO)C(=O)CCc1nc(C(=O)Nc2cccc(CNC(=O)Nc3cccc(F)c3)c2)c2c(N)nccn12
InChIInChI=1S/C28H31FN8O4/c1-2-36(13-14-38)23(39)10-9-22-35-24(25-26(30)31-11-12-37(22)25)27(40)33-20-7-3-5-18(15-20)17-32-28(41)34-21-8-4-6-19(29)16-21/h3-8,11-12,15-16,38H,2,9-10,13-14,17H2,1H3,(H2,30,31)(H,33,40)(H2,32,34,41)
InChIKeyHKDUXYXPWDGENC-UHFFFAOYSA-N
MW562.61 g/mol
LogP2.80
Rot. Bonds11

About 8-amino-3-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]-N-[3-[[(3-fluorophenyl)carbamoylamino]methyl]phenyl]imidazo[1,5-a]pyrazine-1-carboxamide

8-amino-3-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]-N-[3-[[(3-fluorophenyl)carbamoylamino]methyl]phenyl]imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 25125210) has the molecular formula C28H31FN8O4 and a molecular weight of 562.61 g/mol. Its IUPAC name is 8-amino-3-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]-N-[3-[[(3-fluorophenyl)carbamoylamino]methyl]phenyl]imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name8-amino-3-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]-N-[3-[[(3-fluorophenyl)carbamoylamino]methyl]phenyl]imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID25125210
Molecular FormulaC28H31FN8O4
Molecular Weight562.61 g/mol
Exact Mass562.25
IUPAC Name8-amino-3-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]-N-[3-[[(3-fluorophenyl)carbamoylamino]methyl]phenyl]imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCCN(CCO)C(=O)CCc1nc(C(=O)Nc2cccc(CNC(=O)Nc3cccc(F)c3)c2)c2c(N)nccn12
InChIInChI=1S/C28H31FN8O4/c1-2-36(13-14-38)23(39)10-9-22-35-24(25-26(30)31-11-12-37(22)25)27(40)33-20-7-3-5-18(15-20)17-32-28(41)34-21-8-4-6-19(29)16-21/h3-8,11-12,15-16,38H,2,9-10,13-14,17H2,1H3,(H2,30,31)(H,33,40)(H2,32,34,41)
InChIKeyHKDUXYXPWDGENC-UHFFFAOYSA-N
XLogP2.80
TPSA166.98 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.61
LogP ≤ 52.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

Linaprazan
CID 9951066
(2R,3R)-3-[[6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)pyrazin-2-yl]amino]-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
CID 56834890
N-[5-({[(3-Fluorophenyl)carbamoyl]amino}methyl)-2-Methylphenyl]imidazo[1,2-A]pyridine-3-Carboxamide
CID 86764579
N-(2-Fluoro-5-(2-(4-methylpiperazin-1-yl)benzylcarbamoyl)phenyl)-7-(1-methyl-1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283192
N-(2-Fluoro-5-(2-(4-methylpiperazin-1-yl)benzylcarbamoyl)phenyl)-7-(pyridine-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283325
N-(2-Fluoro-5-(2-(4-methylpiperazin-1-yl)benzylcarbamoyl)phenyl)-7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283574
N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71291191
N-[3-(cyclopropylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 9360968
N-benzyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 881566
4-amino-N-[3-[[(3-fluorophenyl)carbamoylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 44518360
3-[8-acetamido-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-hydroxyethyl)benzamide
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N-benzyl-2,7-dimethyl-imidazo[1,2-a]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 8-amino-3-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]-N-[3-[[(3-fluorophenyl)carbamoylamino]methyl]phenyl]imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of 8-amino-3-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]-N-[3-[[(3-fluorophenyl)carbamoylamino]methyl]phenyl]imidazo[1,5-a]pyrazine-1-carboxamide (CID 25125210) is 8-amino-3-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]-N-[3-[[(3-fluorophenyl)carbamoylamino]methyl]phenyl]imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for 8-amino-3-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]-N-[3-[[(3-fluorophenyl)carbamoylamino]methyl]phenyl]imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for 8-amino-3-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]-N-[3-[[(3-fluorophenyl)carbamoylamino]methyl]phenyl]imidazo[1,5-a]pyrazine-1-carboxamide is CCN(CCO)C(=O)CCc1nc(C(=O)Nc2cccc(CNC(=O)Nc3cccc(F)c3)c2)c2c(N)nccn12.
What is the InChIKey of 8-amino-3-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]-N-[3-[[(3-fluorophenyl)carbamoylamino]methyl]phenyl]imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is HKDUXYXPWDGENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN8O4/c1-2-36(13-14-38)23(39)10-9-22-35-24(25-26(30)31-11-12-37(22)25)27(40)33-20-7-3-5-18(15-20)17-32-28(41)34-21-8-4-6-19(29)16-21/h3-8,11-12,15-16,38H,2,9-10,13-14,17H2,1H3,(H2,30,31)(H,33,40)(H2,32,34,41).
What are the key properties of 8-amino-3-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]-N-[3-[[(3-fluorophenyl)carbamoylamino]methyl]phenyl]imidazo[1,5-a]pyrazine-1-carboxamide?
8-amino-3-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]-N-[3-[[(3-fluorophenyl)carbamoylamino]methyl]phenyl]imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 562.61 g/mol, XLogP of 2.80, 11 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]-N-[3-[[(3-fluorophenyl)carbamoylamino]methyl]phenyl]imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 25125210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).