2-(1,5-dimethylpyrazol-4-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]quinoline-4-carboxamide

C26H27N9O2 — CID 19512586

IUPAC2-(1,5-dimethylpyrazol-4-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]quinoline-4-carboxamide
SMILESCCn1ncc(NC(=O)c2cc(-c3cnn(C)c3C)nc3ccccc23)c1C(=O)Nc1cnn(C)c1C
InChIInChI=1S/C26H27N9O2/c1-6-35-24(26(37)31-22-13-28-34(5)16(22)3)23(14-29-35)32-25(36)18-11-21(19-12-27-33(4)15(19)2)30-20-10-8-7-9-17(18)20/h7-14H,6H2,1-5H3,(H,31,37)(H,32,36)
InChIKeyPRLVLIWSCSUNDK-UHFFFAOYSA-N
MW497.56 g/mol
LogP3.71
Rot. Bonds6

About 2-(1,5-dimethylpyrazol-4-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]quinoline-4-carboxamide

2-(1,5-dimethylpyrazol-4-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]quinoline-4-carboxamide (PubChem CID 19512586) has the molecular formula C26H27N9O2 and a molecular weight of 497.56 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]quinoline-4-carboxamide
PubChem CID19512586
Molecular FormulaC26H27N9O2
Molecular Weight497.56 g/mol
Exact Mass497.23
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]quinoline-4-carboxamide
SMILESCCn1ncc(NC(=O)c2cc(-c3cnn(C)c3C)nc3ccccc23)c1C(=O)Nc1cnn(C)c1C
InChIInChI=1S/C26H27N9O2/c1-6-35-24(26(37)31-22-13-28-34(5)16(22)3)23(14-29-35)32-25(36)18-11-21(19-12-27-33(4)15(19)2)30-20-10-8-7-9-17(18)20/h7-14H,6H2,1-5H3,(H,31,37)(H,32,36)
InChIKeyPRLVLIWSCSUNDK-UHFFFAOYSA-N
XLogP3.71
TPSA124.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518625
N-(2,3-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512000
2-(1,5-dimethylpyrazol-4-yl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]quinoline-4-carboxamide
CID 19512590
N-(2,6-dimethylphenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512043
2-(1,5-dimethylpyrazol-4-yl)-N-(1-methylbenzimidazol-2-yl)quinoline-4-carboxamide
CID 19512369
2-(1-ethyl-5-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
CID 19512119
2-(1-ethyl-5-methylpyrazol-4-yl)-N-(3-hydroxyphenyl)quinoline-4-carboxamide
CID 19512303
N-(2-benzoyl-4-chlorophenyl)-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512340
2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide
CID 19512342
methyl 1-ethyl-4-[[2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]pyrazole-3-carboxylate
CID 19512247
2-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide
CID 19512081
2-(1-ethyl-5-methylpyrazol-4-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)quinoline-4-carboxamide
CID 19512302

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]quinoline-4-carboxamide?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]quinoline-4-carboxamide (CID 19512586) is 2-(1,5-dimethylpyrazol-4-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]quinoline-4-carboxamide is CCn1ncc(NC(=O)c2cc(-c3cnn(C)c3C)nc3ccccc23)c1C(=O)Nc1cnn(C)c1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]quinoline-4-carboxamide?
The InChIKey is PRLVLIWSCSUNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N9O2/c1-6-35-24(26(37)31-22-13-28-34(5)16(22)3)23(14-29-35)32-25(36)18-11-21(19-12-27-33(4)15(19)2)30-20-10-8-7-9-17(18)20/h7-14H,6H2,1-5H3,(H,31,37)(H,32,36).
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]quinoline-4-carboxamide?
2-(1,5-dimethylpyrazol-4-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]quinoline-4-carboxamide has a molecular weight of 497.56 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 19512586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).