N-cyclopropyl-3-fluoro-5-[3-[[1-(2-hydroxyphenyl)cyclopropyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide

C24H23FN4O3 — CID 66690808

IUPACN-cyclopropyl-3-fluoro-5-[3-[[1-(2-hydroxyphenyl)cyclopropyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-n1ccnc(NC2(c3ccccc3O)CC2)c1=O
InChIInChI=1S/C24H23FN4O3/c1-14-18(25)12-15(22(31)27-16-6-7-16)13-19(14)29-11-10-26-21(23(29)32)28-24(8-9-24)17-4-2-3-5-20(17)30/h2-5,10-13,16,30H,6-9H2,1H3,(H,26,28)(H,27,31)
InChIKeyNUZKTBJGNGLQMH-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.38
Rot. Bonds6

About N-cyclopropyl-3-fluoro-5-[3-[[1-(2-hydroxyphenyl)cyclopropyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide

N-cyclopropyl-3-fluoro-5-[3-[[1-(2-hydroxyphenyl)cyclopropyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide (PubChem CID 66690808) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-5-[3-[[1-(2-hydroxyphenyl)cyclopropyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-5-[3-[[1-(2-hydroxyphenyl)cyclopropyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide
PubChem CID66690808
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC NameN-cyclopropyl-3-fluoro-5-[3-[[1-(2-hydroxyphenyl)cyclopropyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-n1ccnc(NC2(c3ccccc3O)CC2)c1=O
InChIInChI=1S/C24H23FN4O3/c1-14-18(25)12-15(22(31)27-16-6-7-16)13-19(14)29-11-10-26-21(23(29)32)28-24(8-9-24)17-4-2-3-5-20(17)30/h2-5,10-13,16,30H,6-9H2,1H3,(H,26,28)(H,27,31)
InChIKeyNUZKTBJGNGLQMH-UHFFFAOYSA-N
XLogP3.38
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[3-[[1-(2-butoxyphenyl)cyclopropyl]amino]-2-oxopyrazin-1-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 58072134
N-cyclopropyl-3-fluoro-5-[3-[[1-[5-fluoro-2-[2-(2-hydroxyethylamino)ethoxy]phenyl]cyclopropyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide
CID 66689755
3-[3-[[1-[2-(2-chloroethoxy)phenyl]cyclopropyl]amino]-2-oxopyrazin-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 66689514
N-cyclopropyl-3-[3-[[1-[3-fluoro-2-[2-(2-hydroxyethylamino)ethoxy]phenyl]cyclopropyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide
CID 66689413
N-cyclopropyl-3-fluoro-4-methyl-5-[2-oxo-3-[2-(2-pentoxyphenyl)propan-2-ylamino]pyrazin-1-yl]benzamide
CID 159050930
N-(cyclopropen-1-yl)-3-fluoro-5-[3-[[1-[5-fluoro-2-[2-(2-hydroxyethylamino)ethoxy]phenyl]cyclopropyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide
CID 163808149
N-cyclopropyl-4-methyl-3-[2-oxo-3-[(2-phenylphenyl)methylamino]pyrazin-1-yl]benzamide
CID 66689632
N-cyclopropyl-4-methyl-3-[2-oxo-3-(3-phenylpropylamino)pyrazin-1-yl]benzamide
CID 66689834
N-cyclopropyl-3-[3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide
CID 66689045
N-cyclopropyl-4-methyl-3-[2-oxo-3-(1-phenylpropylamino)pyrazin-1-yl]benzamide
CID 77178772
N-cyclopropyl-3-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide
CID 66690094
3-[[1-[2-(2-chloroethoxy)phenyl]cyclopropyl]amino]-1-(2-methylphenyl)pyrazin-2-one
CID 141324284

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-5-[3-[[1-(2-hydroxyphenyl)cyclopropyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-5-[3-[[1-(2-hydroxyphenyl)cyclopropyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide (CID 66690808) is N-cyclopropyl-3-fluoro-5-[3-[[1-(2-hydroxyphenyl)cyclopropyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-5-[3-[[1-(2-hydroxyphenyl)cyclopropyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-5-[3-[[1-(2-hydroxyphenyl)cyclopropyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-n1ccnc(NC2(c3ccccc3O)CC2)c1=O.
What is the InChIKey of N-cyclopropyl-3-fluoro-5-[3-[[1-(2-hydroxyphenyl)cyclopropyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide?
The InChIKey is NUZKTBJGNGLQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-14-18(25)12-15(22(31)27-16-6-7-16)13-19(14)29-11-10-26-21(23(29)32)28-24(8-9-24)17-4-2-3-5-20(17)30/h2-5,10-13,16,30H,6-9H2,1H3,(H,26,28)(H,27,31).
What are the key properties of N-cyclopropyl-3-fluoro-5-[3-[[1-(2-hydroxyphenyl)cyclopropyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide?
N-cyclopropyl-3-fluoro-5-[3-[[1-(2-hydroxyphenyl)cyclopropyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide has a molecular weight of 434.47 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-5-[3-[[1-(2-hydroxyphenyl)cyclopropyl]amino]-2-oxopyrazin-1-yl]-4-methylbenzamide is sourced from PubChem (CID 66690808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).