5-[[2-chloro-5-[6-(1-methoxyethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide

C25H22ClN5O3 — CID 118506965

IUPAC5-[[2-chloro-5-[6-(1-methoxyethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESCOC(C)c1cccc(-c2ccc(Cl)c(C(=O)Nc3cc(C(N)=O)nn3-c3ccccc3)c2)n1
InChIInChI=1S/C25H22ClN5O3/c1-15(34-2)20-9-6-10-21(28-20)16-11-12-19(26)18(13-16)25(33)29-23-14-22(24(27)32)30-31(23)17-7-4-3-5-8-17/h3-15H,1-2H3,(H2,27,32)(H,29,33)
InChIKeyVLAXRFXESQCKFW-UHFFFAOYSA-N
MW475.94 g/mol
LogP4.65
Rot. Bonds7

About 5-[[2-chloro-5-[6-(1-methoxyethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide

5-[[2-chloro-5-[6-(1-methoxyethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide (PubChem CID 118506965) has the molecular formula C25H22ClN5O3 and a molecular weight of 475.94 g/mol. Its IUPAC name is 5-[[2-chloro-5-[6-(1-methoxyethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[[2-chloro-5-[6-(1-methoxyethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
PubChem CID118506965
Molecular FormulaC25H22ClN5O3
Molecular Weight475.94 g/mol
Exact Mass475.14
IUPAC Name5-[[2-chloro-5-[6-(1-methoxyethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESCOC(C)c1cccc(-c2ccc(Cl)c(C(=O)Nc3cc(C(N)=O)nn3-c3ccccc3)c2)n1
InChIInChI=1S/C25H22ClN5O3/c1-15(34-2)20-9-6-10-21(28-20)16-11-12-19(26)18(13-16)25(33)29-23-14-22(24(27)32)30-31(23)17-7-4-3-5-8-17/h3-15H,1-2H3,(H2,27,32)(H,29,33)
InChIKeyVLAXRFXESQCKFW-UHFFFAOYSA-N
XLogP4.65
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.94
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide
CID 118456253
5-[[5-(6-Amino-2-pyridinyl)-2,4-dichlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 118456250
5-[[5-(6-Amino-3-chloro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 118456276
5-(5-(6-acetamidopyridin-2-yl)-2-chlorobenzamido)-1-phenyl-1H-pyrazole-3-carboxamide
CID 118497113
Ethyl 3-{3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-A]pyrimidin-6-YL]propanamido}benzoate
CID 16008410
5-[[2-Chloro-5-[6-(difluoromethyl)pyridin-2-yl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 118505207
6-[3-[(3-Carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]pyridine-2-carboxamide
CID 118505219
5-(2-chloro-5-(3-fluoro-6-(methoxymethyl)pyridin-2-yl)benzamido)-1-phenyl-1H-pyrazole-3-carboxamide
CID 118497030
5-(5-(6-acetamido-3-fluoropyridin-2-yl)-2-chlorobenzamido)-1-phenyl-1H-pyrazole-3-carboxamide
CID 118497068
5-[[2,4-dichloro-5-[6-(methoxymethyl)-2-pyridinyl]benzoyl]amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide
CID 118497103
5-[[2-Chloro-5-[6-(2,2-difluoroethyl)pyridin-2-yl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 118505208
5-[[2-Chloro-5-[3-chloro-6-(cyanomethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 118505210

Frequently Asked Questions

What is the IUPAC name of 5-[[2-chloro-5-[6-(1-methoxyethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[[2-chloro-5-[6-(1-methoxyethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide (CID 118506965) is 5-[[2-chloro-5-[6-(1-methoxyethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[[2-chloro-5-[6-(1-methoxyethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[[2-chloro-5-[6-(1-methoxyethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide is COC(C)c1cccc(-c2ccc(Cl)c(C(=O)Nc3cc(C(N)=O)nn3-c3ccccc3)c2)n1.
What is the InChIKey of 5-[[2-chloro-5-[6-(1-methoxyethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The InChIKey is VLAXRFXESQCKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O3/c1-15(34-2)20-9-6-10-21(28-20)16-11-12-19(26)18(13-16)25(33)29-23-14-22(24(27)32)30-31(23)17-7-4-3-5-8-17/h3-15H,1-2H3,(H2,27,32)(H,29,33).
What are the key properties of 5-[[2-chloro-5-[6-(1-methoxyethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
5-[[2-chloro-5-[6-(1-methoxyethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide has a molecular weight of 475.94 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-chloro-5-[6-(1-methoxyethyl)-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 118506965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).