N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

C24H29N5O5S — CID 55645447

IUPACN-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H29N5O5S/c1-4-34-20-9-8-18(15-21(20)35(31,32)28-11-13-33-14-12-28)27-24(30)19-16-26-29(23(19)17(2)3)22-7-5-6-10-25-22/h5-10,15-17H,4,11-14H2,1-3H3,(H,27,30)
InChIKeyXLTSCDDEACECRU-UHFFFAOYSA-N
MW499.59 g/mol
LogP3.06
Rot. Bonds8

About N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 55645447) has the molecular formula C24H29N5O5S and a molecular weight of 499.59 g/mol. Its IUPAC name is N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID55645447
Molecular FormulaC24H29N5O5S
Molecular Weight499.59 g/mol
Exact Mass499.19
IUPAC NameN-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H29N5O5S/c1-4-34-20-9-8-18(15-21(20)35(31,32)28-11-13-33-14-12-28)27-24(30)19-16-26-29(23(19)17(2)3)22-7-5-6-10-25-22/h5-10,15-17H,4,11-14H2,1-3H3,(H,27,30)
InChIKeyXLTSCDDEACECRU-UHFFFAOYSA-N
XLogP3.06
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
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N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
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N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethoxynaphthalene-2-carboxamide
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N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55666499
N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2-methyl-2-phenylpropanamide
CID 46532531
N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9050102
(2R,3R)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 41236905
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55603851
(E)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 24624057
2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26795556
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CID 24624539

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 55645447) is N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide is CCOc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(C)C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is XLTSCDDEACECRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5S/c1-4-34-20-9-8-18(15-21(20)35(31,32)28-11-13-33-14-12-28)27-24(30)19-16-26-29(23(19)17(2)3)22-7-5-6-10-25-22/h5-10,15-17H,4,11-14H2,1-3H3,(H,27,30).
What are the key properties of N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 499.59 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55645447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).