N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

C24H29N5O4S — CID 55666499

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCC1CN(S(=O)(=O)c2ccc(NC(=O)c3cnn(-c4ccccn4)c3C(C)C)cc2)CC(C)O1
InChIInChI=1S/C24H29N5O4S/c1-16(2)23-21(13-26-29(23)22-7-5-6-12-25-22)24(30)27-19-8-10-20(11-9-19)34(31,32)28-14-17(3)33-18(4)15-28/h5-13,16-18H,14-15H2,1-4H3,(H,27,30)
InChIKeyNBBJRWGKYIDLGF-UHFFFAOYSA-N
MW483.59 g/mol
LogP3.44
Rot. Bonds6

About N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 55666499) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID55666499
Molecular FormulaC24H29N5O4S
Molecular Weight483.59 g/mol
Exact Mass483.19
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCC1CN(S(=O)(=O)c2ccc(NC(=O)c3cnn(-c4ccccn4)c3C(C)C)cc2)CC(C)O1
InChIInChI=1S/C24H29N5O4S/c1-16(2)23-21(13-26-29(23)22-7-5-6-12-25-22)24(30)27-19-8-10-20(11-9-19)34(31,32)28-14-17(3)33-18(4)15-28/h5-13,16-18H,14-15H2,1-4H3,(H,27,30)
InChIKeyNBBJRWGKYIDLGF-UHFFFAOYSA-N
XLogP3.44
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-fluorobenzamide
CID 51152550
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S-[4-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]phenyl] N,N-dimethylcarbamothioate
CID 56579701
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-phenylbenzamide
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CID 6463291
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5-methyl-1-pyridin-2-yl-N-(4-sulfamoylphenyl)pyrazole-4-carboxamide
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CID 56583372
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CID 126813900
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 55666499) is N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide is CC1CN(S(=O)(=O)c2ccc(NC(=O)c3cnn(-c4ccccn4)c3C(C)C)cc2)CC(C)O1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is NBBJRWGKYIDLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-16(2)23-21(13-26-29(23)22-7-5-6-12-25-22)24(30)27-19-8-10-20(11-9-19)34(31,32)28-14-17(3)33-18(4)15-28/h5-13,16-18H,14-15H2,1-4H3,(H,27,30).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 483.59 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55666499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).