N-[2-fluoro-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-piperidin-1-ylbenzamide

C34H35FN6O4 — CID 11852676

IUPACN-[2-fluoro-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-piperidin-1-ylbenzamide
SMILESCn1cc(-c2cccc(NC(=O)c3ccc(N4CCCCC4)cc3)c2F)nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c1=O
InChIInChI=1S/C34H35FN6O4/c1-39-22-29(37-31(34(39)44)36-25-12-8-24(9-13-25)33(43)41-18-20-45-21-19-41)27-6-5-7-28(30(27)35)38-32(42)23-10-14-26(15-11-23)40-16-3-2-4-17-40/h5-15,22H,2-4,16-21H2,1H3,(H,36,37)(H,38,42)
InChIKeyNATVLRKDTRZKFD-UHFFFAOYSA-N
MW610.69 g/mol
LogP5.05
Rot. Bonds7

About N-[2-fluoro-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-piperidin-1-ylbenzamide

N-[2-fluoro-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-piperidin-1-ylbenzamide (PubChem CID 11852676) has the molecular formula C34H35FN6O4 and a molecular weight of 610.69 g/mol. Its IUPAC name is N-[2-fluoro-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-piperidin-1-ylbenzamide
PubChem CID11852676
Molecular FormulaC34H35FN6O4
Molecular Weight610.69 g/mol
Exact Mass610.27
IUPAC NameN-[2-fluoro-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-piperidin-1-ylbenzamide
SMILESCn1cc(-c2cccc(NC(=O)c3ccc(N4CCCCC4)cc3)c2F)nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c1=O
InChIInChI=1S/C34H35FN6O4/c1-39-22-29(37-31(34(39)44)36-25-12-8-24(9-13-25)33(43)41-18-20-45-21-19-41)27-6-5-7-28(30(27)35)38-32(42)23-10-14-26(15-11-23)40-16-3-2-4-17-40/h5-15,22H,2-4,16-21H2,1H3,(H,36,37)(H,38,42)
InChIKeyNATVLRKDTRZKFD-UHFFFAOYSA-N
XLogP5.05
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.69
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-piperidin-1-ylbenzamide?
The IUPAC name of N-[2-fluoro-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-piperidin-1-ylbenzamide (CID 11852676) is N-[2-fluoro-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[2-fluoro-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[2-fluoro-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-piperidin-1-ylbenzamide is Cn1cc(-c2cccc(NC(=O)c3ccc(N4CCCCC4)cc3)c2F)nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c1=O.
What is the InChIKey of N-[2-fluoro-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-piperidin-1-ylbenzamide?
The InChIKey is NATVLRKDTRZKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35FN6O4/c1-39-22-29(37-31(34(39)44)36-25-12-8-24(9-13-25)33(43)41-18-20-45-21-19-41)27-6-5-7-28(30(27)35)38-32(42)23-10-14-26(15-11-23)40-16-3-2-4-17-40/h5-15,22H,2-4,16-21H2,1H3,(H,36,37)(H,38,42).
What are the key properties of N-[2-fluoro-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-piperidin-1-ylbenzamide?
N-[2-fluoro-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-piperidin-1-ylbenzamide has a molecular weight of 610.69 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 11852676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).