N-[1-[6-(3-chloro-4-pyridinyl)-5-(2-fluoro-4-phosphanylphenyl)pyrazin-2-yl]piperidin-4-yl]formamide;N,N-dimethylmethanamine

C24H29ClFN6OP — CID 143313032

IUPACN-[1-[6-(3-chloro-4-pyridinyl)-5-(2-fluoro-4-phosphanylphenyl)pyrazin-2-yl]piperidin-4-yl]formamide;N,N-dimethylmethanamine
SMILESCN(C)C.O=CNC1CCN(c2cnc(-c3ccc(P)cc3F)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C21H20ClFN5OP.C3H9N/c22-17-10-24-6-3-15(17)21-20(16-2-1-14(30)9-18(16)23)25-11-19(27-21)28-7-4-13(5-8-28)26-12-29;1-4(2)3/h1-3,6,9-13H,4-5,7-8,30H2,(H,26,29);1-3H3
InChIKeyFYCSZMPUCWFKRO-UHFFFAOYSA-N
MW502.96 g/mol
LogP3.39
Rot. Bonds5

About N-[1-[6-(3-chloro-4-pyridinyl)-5-(2-fluoro-4-phosphanylphenyl)pyrazin-2-yl]piperidin-4-yl]formamide;N,N-dimethylmethanamine

N-[1-[6-(3-chloro-4-pyridinyl)-5-(2-fluoro-4-phosphanylphenyl)pyrazin-2-yl]piperidin-4-yl]formamide;N,N-dimethylmethanamine (PubChem CID 143313032) has the molecular formula C24H29ClFN6OP and a molecular weight of 502.96 g/mol. Its IUPAC name is N-[1-[6-(3-chloro-4-pyridinyl)-5-(2-fluoro-4-phosphanylphenyl)pyrazin-2-yl]piperidin-4-yl]formamide;N,N-dimethylmethanamine.

Molecular Properties

Compound NameN-[1-[6-(3-chloro-4-pyridinyl)-5-(2-fluoro-4-phosphanylphenyl)pyrazin-2-yl]piperidin-4-yl]formamide;N,N-dimethylmethanamine
PubChem CID143313032
Molecular FormulaC24H29ClFN6OP
Molecular Weight502.96 g/mol
Exact Mass502.18
IUPAC NameN-[1-[6-(3-chloro-4-pyridinyl)-5-(2-fluoro-4-phosphanylphenyl)pyrazin-2-yl]piperidin-4-yl]formamide;N,N-dimethylmethanamine
SMILESCN(C)C.O=CNC1CCN(c2cnc(-c3ccc(P)cc3F)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C21H20ClFN5OP.C3H9N/c22-17-10-24-6-3-15(17)21-20(16-2-1-14(30)9-18(16)23)25-11-19(27-21)28-7-4-13(5-8-28)26-12-29;1-4(2)3/h1-3,6,9-13H,4-5,7-8,30H2,(H,26,29);1-3H3
InChIKeyFYCSZMPUCWFKRO-UHFFFAOYSA-N
XLogP3.39
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.96
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(4-methylsulfonylpiperidin-1-yl)pyrazine
CID 71200314
[1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]methanol
CID 143313324
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
N-[1-[6-(3-chloro-4-pyridinyl)-5-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazin-2-yl]azetidin-3-yl]-2-methylpropanamide
CID 143313715
N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-yl]piperidin-4-yl]propanamide
CID 143312981
[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-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 143313564
2-(4-chloro-2-methylphenyl)-3-(3-chloro-4-pyridinyl)-5-(4-ethylsulfonylpiperazin-1-yl)pyrazine
CID 71199738
N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide
CID 71199918
N-[1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]-2-methylpropanamide
CID 24857903
[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 89365600

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(3-chloro-4-pyridinyl)-5-(2-fluoro-4-phosphanylphenyl)pyrazin-2-yl]piperidin-4-yl]formamide;N,N-dimethylmethanamine?
The IUPAC name of N-[1-[6-(3-chloro-4-pyridinyl)-5-(2-fluoro-4-phosphanylphenyl)pyrazin-2-yl]piperidin-4-yl]formamide;N,N-dimethylmethanamine (CID 143313032) is N-[1-[6-(3-chloro-4-pyridinyl)-5-(2-fluoro-4-phosphanylphenyl)pyrazin-2-yl]piperidin-4-yl]formamide;N,N-dimethylmethanamine.
What is the SMILES notation for N-[1-[6-(3-chloro-4-pyridinyl)-5-(2-fluoro-4-phosphanylphenyl)pyrazin-2-yl]piperidin-4-yl]formamide;N,N-dimethylmethanamine?
The canonical SMILES for N-[1-[6-(3-chloro-4-pyridinyl)-5-(2-fluoro-4-phosphanylphenyl)pyrazin-2-yl]piperidin-4-yl]formamide;N,N-dimethylmethanamine is CN(C)C.O=CNC1CCN(c2cnc(-c3ccc(P)cc3F)c(-c3ccncc3Cl)n2)CC1.
What is the InChIKey of N-[1-[6-(3-chloro-4-pyridinyl)-5-(2-fluoro-4-phosphanylphenyl)pyrazin-2-yl]piperidin-4-yl]formamide;N,N-dimethylmethanamine?
The InChIKey is FYCSZMPUCWFKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN5OP.C3H9N/c22-17-10-24-6-3-15(17)21-20(16-2-1-14(30)9-18(16)23)25-11-19(27-21)28-7-4-13(5-8-28)26-12-29;1-4(2)3/h1-3,6,9-13H,4-5,7-8,30H2,(H,26,29);1-3H3.
What are the key properties of N-[1-[6-(3-chloro-4-pyridinyl)-5-(2-fluoro-4-phosphanylphenyl)pyrazin-2-yl]piperidin-4-yl]formamide;N,N-dimethylmethanamine?
N-[1-[6-(3-chloro-4-pyridinyl)-5-(2-fluoro-4-phosphanylphenyl)pyrazin-2-yl]piperidin-4-yl]formamide;N,N-dimethylmethanamine has a molecular weight of 502.96 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(3-chloro-4-pyridinyl)-5-(2-fluoro-4-phosphanylphenyl)pyrazin-2-yl]piperidin-4-yl]formamide;N,N-dimethylmethanamine is sourced from PubChem (CID 143313032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).