N-[4-[1-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[1,2-a]pyrazin-8-yl]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide

C34H33FN6O3 — CID 169085170

IUPACN-[4-[1-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[1,2-a]pyrazin-8-yl]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)C(=O)N1CCC(c2cc(-c3ccc(NC(=O)c4c[nH]cc(-c5ccc(F)cc5)c4=O)cc3)c3c(N)nccn23)CC1
InChIInChI=1S/C34H33FN6O3/c1-20(2)34(44)40-14-11-23(12-15-40)29-17-26(30-32(36)38-13-16-41(29)30)21-5-9-25(10-6-21)39-33(43)28-19-37-18-27(31(28)42)22-3-7-24(35)8-4-22/h3-10,13,16-20,23H,11-12,14-15H2,1-2H3,(H2,36,38)(H,37,42)(H,39,43)
InChIKeyXXDWFJFTNALZBJ-UHFFFAOYSA-N
MW592.68 g/mol
LogP5.69
Rot. Bonds6

About N-[4-[1-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[1,2-a]pyrazin-8-yl]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide

N-[4-[1-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[1,2-a]pyrazin-8-yl]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 169085170) has the molecular formula C34H33FN6O3 and a molecular weight of 592.68 g/mol. Its IUPAC name is N-[4-[1-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[1,2-a]pyrazin-8-yl]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[1,2-a]pyrazin-8-yl]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID169085170
Molecular FormulaC34H33FN6O3
Molecular Weight592.68 g/mol
Exact Mass592.26
IUPAC NameN-[4-[1-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[1,2-a]pyrazin-8-yl]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)C(=O)N1CCC(c2cc(-c3ccc(NC(=O)c4c[nH]cc(-c5ccc(F)cc5)c4=O)cc3)c3c(N)nccn23)CC1
InChIInChI=1S/C34H33FN6O3/c1-20(2)34(44)40-14-11-23(12-15-40)29-17-26(30-32(36)38-13-16-41(29)30)21-5-9-25(10-6-21)39-33(43)28-19-37-18-27(31(28)42)22-3-7-24(35)8-4-22/h3-10,13,16-20,23H,11-12,14-15H2,1-2H3,(H2,36,38)(H,37,42)(H,39,43)
InChIKeyXXDWFJFTNALZBJ-UHFFFAOYSA-N
XLogP5.69
TPSA125.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.68
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[1-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[1,2-a]pyrazin-8-yl]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-3-(2,5-difluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 130466309
methyl 5-[[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]carbamoyl]-3-bromo-1-(4-fluorophenyl)-6-oxopyridine-2-carboxylate
CID 150720176
N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2,4-dioxo-1-propan-2-yl-3-pyrimidin-2-ylpyrimidine-5-carboxamide
CID 130466343
N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-5-ethenyl-6-methyl-2-oxo-1-pyridin-2-ylpyridine-3-carboxamide
CID 130447732
N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-3-(3-bromophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 130447768
N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-5-(5-cyano-3-pyridinyl)-6-methyl-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 130471085
N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-hydroxy-5,6-dimethyl-1-pyridin-3-yl-2H-pyridine-3-carboxamide
CID 131980344
N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-5-bromo-6-(ethoxymethyl)-2-oxo-1-phenylpyridine-3-carboxamide
CID 130447818
5-N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-1-cyclobutyl-3-(4-fluorophenyl)-4-oxopyridine-2,5-dicarboxamide
CID 164579517
N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-6-hydroxy-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166937823
N-[4-[4-amino-7-[1-[ethyl(methyl)carbamoyl]piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
CID 130447751
5-N-[4-[4-amino-1-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxamide
CID 164579528

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[1,2-a]pyrazin-8-yl]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[1-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[1,2-a]pyrazin-8-yl]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide (CID 169085170) is N-[4-[1-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[1,2-a]pyrazin-8-yl]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[1-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[1,2-a]pyrazin-8-yl]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[1-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[1,2-a]pyrazin-8-yl]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide is CC(C)C(=O)N1CCC(c2cc(-c3ccc(NC(=O)c4c[nH]cc(-c5ccc(F)cc5)c4=O)cc3)c3c(N)nccn23)CC1.
What is the InChIKey of N-[4-[1-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[1,2-a]pyrazin-8-yl]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XXDWFJFTNALZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33FN6O3/c1-20(2)34(44)40-14-11-23(12-15-40)29-17-26(30-32(36)38-13-16-41(29)30)21-5-9-25(10-6-21)39-33(43)28-19-37-18-27(31(28)42)22-3-7-24(35)8-4-22/h3-10,13,16-20,23H,11-12,14-15H2,1-2H3,(H2,36,38)(H,37,42)(H,39,43).
What are the key properties of N-[4-[1-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[1,2-a]pyrazin-8-yl]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
N-[4-[1-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[1,2-a]pyrazin-8-yl]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 592.68 g/mol, XLogP of 5.69, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-amino-6-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[1,2-a]pyrazin-8-yl]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 169085170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).