N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

C26H31N7O2 — CID 19512854

IUPACN-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCCn1cc(NC(=O)c2cc(-c3c(C)nn(C)c3C)nc3ccccc23)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C26H31N7O2/c1-7-33-14-22(24(31-33)26(35)27-13-15(2)3)29-25(34)19-12-21(23-16(4)30-32(6)17(23)5)28-20-11-9-8-10-18(19)20/h8-12,14-15H,7,13H2,1-6H3,(H,27,35)(H,29,34)
InChIKeyYGNYTVOVLZSDOL-UHFFFAOYSA-N
MW473.58 g/mol
LogP4.11
Rot. Bonds7

About N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 19512854) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID19512854
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC NameN-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCCn1cc(NC(=O)c2cc(-c3c(C)nn(C)c3C)nc3ccccc23)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C26H31N7O2/c1-7-33-14-22(24(31-33)26(35)27-13-15(2)3)29-25(34)19-12-21(23-16(4)30-32(6)17(23)5)28-20-11-9-8-10-18(19)20/h8-12,14-15H,7,13H2,1-6H3,(H,27,35)(H,29,34)
InChIKeyYGNYTVOVLZSDOL-UHFFFAOYSA-N
XLogP4.11
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-dimethylpyrazol-4-yl)-N-[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 19511939
N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512844
N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512882
N-[1-(ethoxymethyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512896
methyl 1-ethyl-4-[[2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]pyrazole-3-carboxylate
CID 19512247
N-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518625
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512890
ethyl 1-methyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]pyrazole-4-carboxylate
CID 19512858
2-(4-chlorophenyl)-N-[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 17375453
N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512626
N-(2-hydroxy-5-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512913
N-(5-bromo-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512629

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide (CID 19512854) is N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide is CCn1cc(NC(=O)c2cc(-c3c(C)nn(C)c3C)nc3ccccc23)c(C(=O)NCC(C)C)n1.
What is the InChIKey of N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is YGNYTVOVLZSDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-7-33-14-22(24(31-33)26(35)27-13-15(2)3)29-25(34)19-12-21(23-16(4)30-32(6)17(23)5)28-20-11-9-8-10-18(19)20/h8-12,14-15H,7,13H2,1-6H3,(H,27,35)(H,29,34).
What are the key properties of N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide?
N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19512854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).