[4-[6-(3-chloro-4-pyridinyl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone

C31H32ClN7O2 — CID 143313220

IUPAC[4-[6-(3-chloro-4-pyridinyl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
SMILESCc1cccnc1C(=O)N1CCN(c2cnc(-c3ccc(CN4CCOCC4)cc3)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C31H32ClN7O2/c1-22-3-2-9-34-28(22)31(40)39-13-11-38(12-14-39)27-20-35-29(30(36-27)25-8-10-33-19-26(25)32)24-6-4-23(5-7-24)21-37-15-17-41-18-16-37/h2-10,19-20H,11-18,21H2,1H3
InChIKeyWJXUKHDMBUNUGP-UHFFFAOYSA-N
MW570.10 g/mol
LogP4.36
Rot. Bonds6

About [4-[6-(3-chloro-4-pyridinyl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone

[4-[6-(3-chloro-4-pyridinyl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone (PubChem CID 143313220) has the molecular formula C31H32ClN7O2 and a molecular weight of 570.10 g/mol. Its IUPAC name is [4-[6-(3-chloro-4-pyridinyl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[6-(3-chloro-4-pyridinyl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
PubChem CID143313220
Molecular FormulaC31H32ClN7O2
Molecular Weight570.10 g/mol
Exact Mass569.23
IUPAC Name[4-[6-(3-chloro-4-pyridinyl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
SMILESCc1cccnc1C(=O)N1CCN(c2cnc(-c3ccc(CN4CCOCC4)cc3)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C31H32ClN7O2/c1-22-3-2-9-34-28(22)31(40)39-13-11-38(12-14-39)27-20-35-29(30(36-27)25-8-10-33-19-26(25)32)24-6-4-23(5-7-24)21-37-15-17-41-18-16-37/h2-10,19-20H,11-18,21H2,1H3
InChIKeyWJXUKHDMBUNUGP-UHFFFAOYSA-N
XLogP4.36
TPSA87.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.10
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 143313537
[4-[6-(3-chloro-4-pyridinyl)-5-(2,5-dichlorophenyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 143313240
[4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 71200162
[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 71200135
2-chloropropan-2-yl 4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazine-1-carboxylate
CID 143313654
1-[4-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-2-ethoxyethanone
CID 143313745
3-chloro-4-methylpyridine;ethane;[4-[5-(3-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 143313817
[4-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol
CID 71199820
[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 143313564
2-amino-1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]butan-1-ol
CID 143313538
1-[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]propan-1-one
CID 71200253
[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(4-fluoro-3-pyridinyl)methanone
CID 71200150

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3-chloro-4-pyridinyl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The IUPAC name of [4-[6-(3-chloro-4-pyridinyl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone (CID 143313220) is [4-[6-(3-chloro-4-pyridinyl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [4-[6-(3-chloro-4-pyridinyl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The canonical SMILES for [4-[6-(3-chloro-4-pyridinyl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone is Cc1cccnc1C(=O)N1CCN(c2cnc(-c3ccc(CN4CCOCC4)cc3)c(-c3ccncc3Cl)n2)CC1.
What is the InChIKey of [4-[6-(3-chloro-4-pyridinyl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The InChIKey is WJXUKHDMBUNUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32ClN7O2/c1-22-3-2-9-34-28(22)31(40)39-13-11-38(12-14-39)27-20-35-29(30(36-27)25-8-10-33-19-26(25)32)24-6-4-23(5-7-24)21-37-15-17-41-18-16-37/h2-10,19-20H,11-18,21H2,1H3.
What are the key properties of [4-[6-(3-chloro-4-pyridinyl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone?
[4-[6-(3-chloro-4-pyridinyl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone has a molecular weight of 570.10 g/mol, XLogP of 4.36, 6 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-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 143313220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).