N-cyclopropyl-1-(4-fluorophenyl)-3-oxo-2-(1,3,4-trimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)-1H-isoindole-4-carboxamide

C28H26FN5O3 — CID 155385128

IUPACN-cyclopropyl-1-(4-fluorophenyl)-3-oxo-2-(1,3,4-trimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)-1H-isoindole-4-carboxamide
SMILESCC1C(=O)N(C)c2ccc(N3C(=O)c4c(C(=O)NC5CC5)cccc4C3c3ccc(F)cc3)nc2N1C
InChIInChI=1S/C28H26FN5O3/c1-15-27(36)33(3)21-13-14-22(31-25(21)32(15)2)34-24(16-7-9-17(29)10-8-16)19-5-4-6-20(23(19)28(34)37)26(35)30-18-11-12-18/h4-10,13-15,18,24H,11-12H2,1-3H3,(H,30,35)
InChIKeyNYSKLMKGGCSDCR-UHFFFAOYSA-N
MW499.55 g/mol
LogP3.66
Rot. Bonds4

About N-cyclopropyl-1-(4-fluorophenyl)-3-oxo-2-(1,3,4-trimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)-1H-isoindole-4-carboxamide

N-cyclopropyl-1-(4-fluorophenyl)-3-oxo-2-(1,3,4-trimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)-1H-isoindole-4-carboxamide (PubChem CID 155385128) has the molecular formula C28H26FN5O3 and a molecular weight of 499.55 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-fluorophenyl)-3-oxo-2-(1,3,4-trimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-fluorophenyl)-3-oxo-2-(1,3,4-trimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)-1H-isoindole-4-carboxamide
PubChem CID155385128
Molecular FormulaC28H26FN5O3
Molecular Weight499.55 g/mol
Exact Mass499.20
IUPAC NameN-cyclopropyl-1-(4-fluorophenyl)-3-oxo-2-(1,3,4-trimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)-1H-isoindole-4-carboxamide
SMILESCC1C(=O)N(C)c2ccc(N3C(=O)c4c(C(=O)NC5CC5)cccc4C3c3ccc(F)cc3)nc2N1C
InChIInChI=1S/C28H26FN5O3/c1-15-27(36)33(3)21-13-14-22(31-25(21)32(15)2)34-24(16-7-9-17(29)10-8-16)19-5-4-6-20(23(19)28(34)37)26(35)30-18-11-12-18/h4-10,13-15,18,24H,11-12H2,1-3H3,(H,30,35)
InChIKeyNYSKLMKGGCSDCR-UHFFFAOYSA-N
XLogP3.66
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.55
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-1-(4-fluorophenyl)-3-oxo-2-(1,3,4-trimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)-1H-isoindole-4-carboxamide with MolForge

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Related Compounds

4-cyclopropyl-6-[1-(4-fluorophenyl)-3-oxo-6,7-dihydro-1H-isoindol-2-yl]-1,3-dimethyl-3H-pyrido[2,3-b]pyrazin-2-one
CID 155394842
4-cyclopropyl-1,3-dimethyl-6-(4-methylsulfonyl-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-3H-pyrido[2,3-b]pyrazin-2-one
CID 155657858
(7R)-8-cyclopropyl-2-(5-fluoro-3-oxo-1-pyridin-3-yl-1H-isoindol-2-yl)-5,7-dimethyl-7H-pteridin-6-one
CID 155385071
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
3-fluoro-5-methyl-11-oxo-6,6a-dihydro-5H-isoindolo[2,1-a]quinoline-10-carboxylic acid
CID 2911723
N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide
CID 86896565
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]benzamide
CID 726142
1-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide
CID 53119378
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide
CID 95720011
N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methylbenzamide
CID 134099091
3-(4-fluorophenyl)-2-methyl-3H-isoindol-1-one
CID 132524924

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4-fluorophenyl)-3-oxo-2-(1,3,4-trimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)-1H-isoindole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(4-fluorophenyl)-3-oxo-2-(1,3,4-trimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)-1H-isoindole-4-carboxamide (CID 155385128) is N-cyclopropyl-1-(4-fluorophenyl)-3-oxo-2-(1,3,4-trimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(4-fluorophenyl)-3-oxo-2-(1,3,4-trimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)-1H-isoindole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(4-fluorophenyl)-3-oxo-2-(1,3,4-trimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)-1H-isoindole-4-carboxamide is CC1C(=O)N(C)c2ccc(N3C(=O)c4c(C(=O)NC5CC5)cccc4C3c3ccc(F)cc3)nc2N1C.
What is the InChIKey of N-cyclopropyl-1-(4-fluorophenyl)-3-oxo-2-(1,3,4-trimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)-1H-isoindole-4-carboxamide?
The InChIKey is NYSKLMKGGCSDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O3/c1-15-27(36)33(3)21-13-14-22(31-25(21)32(15)2)34-24(16-7-9-17(29)10-8-16)19-5-4-6-20(23(19)28(34)37)26(35)30-18-11-12-18/h4-10,13-15,18,24H,11-12H2,1-3H3,(H,30,35).
What are the key properties of N-cyclopropyl-1-(4-fluorophenyl)-3-oxo-2-(1,3,4-trimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)-1H-isoindole-4-carboxamide?
N-cyclopropyl-1-(4-fluorophenyl)-3-oxo-2-(1,3,4-trimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)-1H-isoindole-4-carboxamide has a molecular weight of 499.55 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-fluorophenyl)-3-oxo-2-(1,3,4-trimethyl-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl)-1H-isoindole-4-carboxamide is sourced from PubChem (CID 155385128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).