N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide

C35H39FN6O4 — CID 156906765

IUPACN-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide
SMILESCn1nc(C(=O)N2CCOCC2)cc1C(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1
InChIInChI=1S/C35H39FN6O4/c1-35(2,3)26-10-12-28(13-11-26)42(34(45)30-22-29(39-40(30)4)33(44)41-17-19-46-20-18-41)31(25-8-6-15-37-23-25)32(43)38-16-14-24-7-5-9-27(36)21-24/h5-13,15,21-23,31H,14,16-20H2,1-4H3,(H,38,43)
InChIKeyVSVUWJVEHSQHLX-UHFFFAOYSA-N
MW626.73 g/mol
LogP4.47
Rot. Bonds9

About N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide

N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide (PubChem CID 156906765) has the molecular formula C35H39FN6O4 and a molecular weight of 626.73 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide
PubChem CID156906765
Molecular FormulaC35H39FN6O4
Molecular Weight626.73 g/mol
Exact Mass626.30
IUPAC NameN-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide
SMILESCn1nc(C(=O)N2CCOCC2)cc1C(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1
InChIInChI=1S/C35H39FN6O4/c1-35(2,3)26-10-12-28(13-11-26)42(34(45)30-22-29(39-40(30)4)33(44)41-17-19-46-20-18-41)31(25-8-6-15-37-23-25)32(43)38-16-14-24-7-5-9-27(36)21-24/h5-13,15,21-23,31H,14,16-20H2,1-4H3,(H,38,43)
InChIKeyVSVUWJVEHSQHLX-UHFFFAOYSA-N
XLogP4.47
TPSA109.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500626.73
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide (CID 156906765) is N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide is Cn1nc(C(=O)N2CCOCC2)cc1C(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The InChIKey is VSVUWJVEHSQHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39FN6O4/c1-35(2,3)26-10-12-28(13-11-26)42(34(45)30-22-29(39-40(30)4)33(44)41-17-19-46-20-18-41)31(25-8-6-15-37-23-25)32(43)38-16-14-24-7-5-9-27(36)21-24/h5-13,15,21-23,31H,14,16-20H2,1-4H3,(H,38,43).
What are the key properties of N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide has a molecular weight of 626.73 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide is sourced from PubChem (CID 156906765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).