2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N,N-diethyl-2-methylpropanamide

C24H28Cl2FN5O2 — CID 11569727

IUPAC2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N,N-diethyl-2-methylpropanamide
SMILESCCN(CC)C(=O)C(C)(C)n1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc(F)c3Cl)c2)cn1
InChIInChI=1S/C24H28Cl2FN5O2/c1-6-31(7-2)23(33)24(4,5)32-13-16(12-30-32)15-10-19(22(28)29-11-15)34-14(3)20-17(25)8-9-18(27)21(20)26/h8-14H,6-7H2,1-5H3,(H2,28,29)
InChIKeyWFFGZNLGPFYTEG-UHFFFAOYSA-N
MW508.43 g/mol
LogP5.72
Rot. Bonds8

About 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N,N-diethyl-2-methylpropanamide

2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N,N-diethyl-2-methylpropanamide (PubChem CID 11569727) has the molecular formula C24H28Cl2FN5O2 and a molecular weight of 508.43 g/mol. Its IUPAC name is 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N,N-diethyl-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N,N-diethyl-2-methylpropanamide
PubChem CID11569727
Molecular FormulaC24H28Cl2FN5O2
Molecular Weight508.43 g/mol
Exact Mass507.16
IUPAC Name2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N,N-diethyl-2-methylpropanamide
SMILESCCN(CC)C(=O)C(C)(C)n1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc(F)c3Cl)c2)cn1
InChIInChI=1S/C24H28Cl2FN5O2/c1-6-31(7-2)23(33)24(4,5)32-13-16(12-30-32)15-10-19(22(28)29-11-15)34-14(3)20-17(25)8-9-18(27)21(20)26/h8-14H,6-7H2,1-5H3,(H2,28,29)
InChIKeyWFFGZNLGPFYTEG-UHFFFAOYSA-N
XLogP5.72
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.43
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N,N-diethyl-2-methylpropanamide?
The IUPAC name of 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N,N-diethyl-2-methylpropanamide (CID 11569727) is 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N,N-diethyl-2-methylpropanamide.
What is the SMILES notation for 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N,N-diethyl-2-methylpropanamide?
The canonical SMILES for 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N,N-diethyl-2-methylpropanamide is CCN(CC)C(=O)C(C)(C)n1cc(-c2cnc(N)c(OC(C)c3c(Cl)ccc(F)c3Cl)c2)cn1.
What is the InChIKey of 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N,N-diethyl-2-methylpropanamide?
The InChIKey is WFFGZNLGPFYTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2FN5O2/c1-6-31(7-2)23(33)24(4,5)32-13-16(12-30-32)15-10-19(22(28)29-11-15)34-14(3)20-17(25)8-9-18(27)21(20)26/h8-14H,6-7H2,1-5H3,(H2,28,29).
What are the key properties of 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N,N-diethyl-2-methylpropanamide?
2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N,N-diethyl-2-methylpropanamide has a molecular weight of 508.43 g/mol, XLogP of 5.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N,N-diethyl-2-methylpropanamide is sourced from PubChem (CID 11569727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).