2-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]quinoline-4-carboxamide

C26H27N9O2 — CID 19511661

IUPAC2-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)Nc3cnn(C)c3C(=O)NCc3cnn(C)c3)c3ccccc3n2)c(C)n1
InChIInChI=1S/C26H27N9O2/c1-5-35-15-20(16(2)32-35)22-10-19(18-8-6-7-9-21(18)30-22)25(36)31-23-13-29-34(4)24(23)26(37)27-11-17-12-28-33(3)14-17/h6-10,12-15H,5,11H2,1-4H3,(H,27,37)(H,31,36)
InChIKeyHQYXOLCDSGKDCE-UHFFFAOYSA-N
MW497.56 g/mol
LogP3.08
Rot. Bonds7

About 2-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]quinoline-4-carboxamide

2-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]quinoline-4-carboxamide (PubChem CID 19511661) has the molecular formula C26H27N9O2 and a molecular weight of 497.56 g/mol. Its IUPAC name is 2-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]quinoline-4-carboxamide
PubChem CID19511661
Molecular FormulaC26H27N9O2
Molecular Weight497.56 g/mol
Exact Mass497.23
IUPAC Name2-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)Nc3cnn(C)c3C(=O)NCc3cnn(C)c3)c3ccccc3n2)c(C)n1
InChIInChI=1S/C26H27N9O2/c1-5-35-15-20(16(2)32-35)22-10-19(18-8-6-7-9-21(18)30-22)25(36)31-23-13-29-34(4)24(23)26(37)27-11-17-12-28-33(3)14-17/h6-10,12-15H,5,11H2,1-4H3,(H,27,37)(H,31,36)
InChIKeyHQYXOLCDSGKDCE-UHFFFAOYSA-N
XLogP3.08
TPSA124.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19515716
4-[(2-iodobenzoyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19336742
N-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518625
2-(1,3-dimethylpyrazol-4-yl)-N-[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 19511939
2-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide
CID 19511477
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012
4-chloro-1-ethyl-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19263499
N-[(1-methylpyrazol-4-yl)methyl]-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1257098
2-(1,5-dimethylpyrazol-4-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]quinoline-4-carboxamide
CID 19512586
N-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513019
2-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19512084
2-(1-ethyl-3-methylpyrazol-4-yl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 19511666

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]quinoline-4-carboxamide?
The IUPAC name of 2-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]quinoline-4-carboxamide (CID 19511661) is 2-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]quinoline-4-carboxamide is CCn1cc(-c2cc(C(=O)Nc3cnn(C)c3C(=O)NCc3cnn(C)c3)c3ccccc3n2)c(C)n1.
What is the InChIKey of 2-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]quinoline-4-carboxamide?
The InChIKey is HQYXOLCDSGKDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N9O2/c1-5-35-15-20(16(2)32-35)22-10-19(18-8-6-7-9-21(18)30-22)25(36)31-23-13-29-34(4)24(23)26(37)27-11-17-12-28-33(3)14-17/h6-10,12-15H,5,11H2,1-4H3,(H,27,37)(H,31,36).
What are the key properties of 2-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]quinoline-4-carboxamide?
2-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]quinoline-4-carboxamide has a molecular weight of 497.56 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 19511661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).