2-[4-[6-[4-(5-chloro-2,4-difluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine

C23H18ClF2N7 — CID 146662042

IUPAC2-[4-[6-[4-(5-chloro-2,4-difluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine
SMILESCNCCn1cc(-c2cnc3ccc(-c4[nH]cnc4-c4cc(Cl)c(F)cc4F)nc3c2)cn1
InChIInChI=1S/C23H18ClF2N7/c1-27-4-5-33-11-14(10-31-33)13-6-21-19(28-9-13)2-3-20(32-21)23-22(29-12-30-23)15-7-16(24)18(26)8-17(15)25/h2-3,6-12,27H,4-5H2,1H3,(H,29,30)
InChIKeyUHJAWSVSVLASKY-UHFFFAOYSA-N
MW465.90 g/mol
LogP4.70
Rot. Bonds6

About 2-[4-[6-[4-(5-chloro-2,4-difluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine

2-[4-[6-[4-(5-chloro-2,4-difluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine (PubChem CID 146662042) has the molecular formula C23H18ClF2N7 and a molecular weight of 465.90 g/mol. Its IUPAC name is 2-[4-[6-[4-(5-chloro-2,4-difluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[6-[4-(5-chloro-2,4-difluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine
PubChem CID146662042
Molecular FormulaC23H18ClF2N7
Molecular Weight465.90 g/mol
Exact Mass465.13
IUPAC Name2-[4-[6-[4-(5-chloro-2,4-difluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine
SMILESCNCCn1cc(-c2cnc3ccc(-c4[nH]cnc4-c4cc(Cl)c(F)cc4F)nc3c2)cn1
InChIInChI=1S/C23H18ClF2N7/c1-27-4-5-33-11-14(10-31-33)13-6-21-19(28-9-13)2-3-20(32-21)23-22(29-12-30-23)15-7-16(24)18(26)8-17(15)25/h2-3,6-12,27H,4-5H2,1H3,(H,29,30)
InChIKeyUHJAWSVSVLASKY-UHFFFAOYSA-N
XLogP4.70
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.90
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-[4-[6-[4-(5-chloro-2,4-difluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine with MolForge

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Related Compounds

(2R)-4-[6-[4-(5-chloro-2,4-difluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxylic acid
CID 146662137
2-[4-[6-[6-(5-chloro-2-fluorophenyl)-5H-cyclopenta[b]pyridin-7-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine
CID 157353487
3-(1-ethylpyrazol-4-yl)-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
CID 167367234
trans-(1R,2R)-2-[4-[6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]cyclohexan-1-amine
CID 146661843
N-methyl-2-(4-pyridin-2-ylpyrazol-1-yl)ethanamine
CID 121213927
N-[2-[4-[6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethyl]propan-2-amine
CID 146661928
N,N-dimethyl-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine
CID 167367037
6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridin-3-amine
CID 146661817
methyl 2-[4-[2-[[6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazin-2-yl]acetate
CID 146662046
N-methyl-2-(4-pyridin-4-ylpyrazol-1-yl)ethanamine
CID 121213954
6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-1,5-naphthyridin-3-amine
CID 146661905
N-methyl-2-[2-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanamine
CID 167366629

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[4-(5-chloro-2,4-difluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[6-[4-(5-chloro-2,4-difluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine (CID 146662042) is 2-[4-[6-[4-(5-chloro-2,4-difluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[6-[4-(5-chloro-2,4-difluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[6-[4-(5-chloro-2,4-difluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine is CNCCn1cc(-c2cnc3ccc(-c4[nH]cnc4-c4cc(Cl)c(F)cc4F)nc3c2)cn1.
What is the InChIKey of 2-[4-[6-[4-(5-chloro-2,4-difluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine?
The InChIKey is UHJAWSVSVLASKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N7/c1-27-4-5-33-11-14(10-31-33)13-6-21-19(28-9-13)2-3-20(32-21)23-22(29-12-30-23)15-7-16(24)18(26)8-17(15)25/h2-3,6-12,27H,4-5H2,1H3,(H,29,30).
What are the key properties of 2-[4-[6-[4-(5-chloro-2,4-difluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine?
2-[4-[6-[4-(5-chloro-2,4-difluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine has a molecular weight of 465.90 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[4-(5-chloro-2,4-difluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine is sourced from PubChem (CID 146662042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).