[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone

C29H26ClF2N7O2 — CID 143313336

IUPAC[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone
SMILESO=C(c1cccnc1N1CCOCC1)N1CCN(c2cnc(-c3ccc(F)cc3F)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C29H26ClF2N7O2/c30-23-17-33-7-5-20(23)27-26(21-4-3-19(31)16-24(21)32)35-18-25(36-27)37-8-10-39(11-9-37)29(40)22-2-1-6-34-28(22)38-12-14-41-15-13-38/h1-7,16-18H,8-15H2
InChIKeyWGYMIYMNBSFUKY-UHFFFAOYSA-N
MW578.02 g/mol
LogP4.33
Rot. Bonds5

About [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone

[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone (PubChem CID 143313336) has the molecular formula C29H26ClF2N7O2 and a molecular weight of 578.02 g/mol. Its IUPAC name is [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone
PubChem CID143313336
Molecular FormulaC29H26ClF2N7O2
Molecular Weight578.02 g/mol
Exact Mass577.18
IUPAC Name[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone
SMILESO=C(c1cccnc1N1CCOCC1)N1CCN(c2cnc(-c3ccc(F)cc3F)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C29H26ClF2N7O2/c30-23-17-33-7-5-20(23)27-26(21-4-3-19(31)16-24(21)32)35-18-25(36-27)37-8-10-39(11-9-37)29(40)22-2-1-6-34-28(22)38-12-14-41-15-13-38/h1-7,16-18H,8-15H2
InChIKeyWGYMIYMNBSFUKY-UHFFFAOYSA-N
XLogP4.33
TPSA87.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.02
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone with MolForge

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Related Compounds

5-Chloro-2-ethyl-9-methyl-13-[2-(2-methylpyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470758
[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 90656293
N-[[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]methyl]pyridine-3-carboxamide
CID 68405338
N-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]pyridine-3-carboxamide
CID 68405541
[4-[[5-Chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-pyridin-3-ylmethanone
CID 70793948
5-(4-chlorophenyl)-N-((2-morpholinopyridin-3-yl)methyl)nicotinamide
CID 52949503
N-((2-Morpholin-4-yl-pyridin-3-yl)methyl)-6-(4-chlorophenyl)-pyrazine-2-carboxamide
CID 52950155
N-(5-(2-chloro-5-(3-fluoropyridin-4-yl)phenyl)pyrazin-2-yl)-4-methylnicotinamide
CID 71010068
US11241428, Example 5
CID 146525523
[4-[(6-Chloro-3-pyridinyl)methyl]-4-fluoropiperidin-1-yl]-(2-pyrimidin-4-yl-3-pyridinyl)methanone
CID 163385517
[4-[(5-Chloro-2-pyridinyl)methyl]-4-fluoropiperidin-1-yl]-(2-pyrimidin-4-yl-3-pyridinyl)methanone
CID 163385716
[4-[(5-Chloro-3-fluoro-2-pyridinyl)methyl]-4-fluoropiperidin-1-yl]-(2-pyrimidin-4-yl-3-pyridinyl)methanone
CID 163385811

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone?
The IUPAC name of [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone (CID 143313336) is [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone.
What is the SMILES notation for [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone?
The canonical SMILES for [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone is O=C(c1cccnc1N1CCOCC1)N1CCN(c2cnc(-c3ccc(F)cc3F)c(-c3ccncc3Cl)n2)CC1.
What is the InChIKey of [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone?
The InChIKey is WGYMIYMNBSFUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClF2N7O2/c30-23-17-33-7-5-20(23)27-26(21-4-3-19(31)16-24(21)32)35-18-25(36-27)37-8-10-39(11-9-37)29(40)22-2-1-6-34-28(22)38-12-14-41-15-13-38/h1-7,16-18H,8-15H2.
What are the key properties of [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone?
[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone has a molecular weight of 578.02 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone is sourced from PubChem (CID 143313336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).