N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylpyrrole-3-carboxamide

C24H26N6O3S — CID 58081288

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylpyrrole-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(S(=O)(=O)n3ccc(C(=O)NCc4c(C)cc(N)nc4C)c3)cc2)n1
InChIInChI=1S/C24H26N6O3S/c1-15-11-23(25)27-18(4)22(15)13-26-24(31)19-9-10-29(14-19)34(32,33)21-7-5-20(6-8-21)30-17(3)12-16(2)28-30/h5-12,14H,13H2,1-4H3,(H2,25,27)(H,26,31)
InChIKeyOHBJDBJVZSAGFU-UHFFFAOYSA-N
MW478.58 g/mol
LogP3.05
Rot. Bonds6

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylpyrrole-3-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylpyrrole-3-carboxamide (PubChem CID 58081288) has the molecular formula C24H26N6O3S and a molecular weight of 478.58 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylpyrrole-3-carboxamide
PubChem CID58081288
Molecular FormulaC24H26N6O3S
Molecular Weight478.58 g/mol
Exact Mass478.18
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylpyrrole-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(S(=O)(=O)n3ccc(C(=O)NCc4c(C)cc(N)nc4C)c3)cc2)n1
InChIInChI=1S/C24H26N6O3S/c1-15-11-23(25)27-18(4)22(15)13-26-24(31)19-9-10-29(14-19)34(32,33)21-7-5-20(6-8-21)30-17(3)12-16(2)28-30/h5-12,14H,13H2,1-4H3,(H2,25,27)(H,26,31)
InChIKeyOHBJDBJVZSAGFU-UHFFFAOYSA-N
XLogP3.05
TPSA124.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylpyrrole-3-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylpyrrole-3-carboxamide (CID 58081288) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylpyrrole-3-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylpyrrole-3-carboxamide is Cc1cc(C)n(-c2ccc(S(=O)(=O)n3ccc(C(=O)NCc4c(C)cc(N)nc4C)c3)cc2)n1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylpyrrole-3-carboxamide?
The InChIKey is OHBJDBJVZSAGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3S/c1-15-11-23(25)27-18(4)22(15)13-26-24(31)19-9-10-29(14-19)34(32,33)21-7-5-20(6-8-21)30-17(3)12-16(2)28-30/h5-12,14H,13H2,1-4H3,(H2,25,27)(H,26,31).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylpyrrole-3-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylpyrrole-3-carboxamide has a molecular weight of 478.58 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylpyrrole-3-carboxamide is sourced from PubChem (CID 58081288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).