N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylindole-1-carboxamide

C25H23N5O3S — CID 10504663

IUPACN,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylindole-1-carboxamide
SMILESCc1nc2cnccc2n1Cc1ccc(S(=O)(=O)c2cn(C(=O)N(C)C)c3ccccc23)cc1
InChIInChI=1S/C25H23N5O3S/c1-17-27-21-14-26-13-12-23(21)29(17)15-18-8-10-19(11-9-18)34(32,33)24-16-30(25(31)28(2)3)22-7-5-4-6-20(22)24/h4-14,16H,15H2,1-3H3
InChIKeyPBRYJLFJBMXZAC-UHFFFAOYSA-N
MW473.56 g/mol
LogP4.11
Rot. Bonds4

About N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylindole-1-carboxamide

N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylindole-1-carboxamide (PubChem CID 10504663) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylindole-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylindole-1-carboxamide
PubChem CID10504663
Molecular FormulaC25H23N5O3S
Molecular Weight473.56 g/mol
Exact Mass473.15
IUPAC NameN,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylindole-1-carboxamide
SMILESCc1nc2cnccc2n1Cc1ccc(S(=O)(=O)c2cn(C(=O)N(C)C)c3ccccc23)cc1
InChIInChI=1S/C25H23N5O3S/c1-17-27-21-14-26-13-12-23(21)29(17)15-18-8-10-19(11-9-18)34(32,33)24-16-30(25(31)28(2)3)22-7-5-4-6-20(22)24/h4-14,16H,15H2,1-3H3
InChIKeyPBRYJLFJBMXZAC-UHFFFAOYSA-N
XLogP4.11
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylindole-1-carboxamide?
The IUPAC name of N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylindole-1-carboxamide (CID 10504663) is N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylindole-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylindole-1-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylindole-1-carboxamide is Cc1nc2cnccc2n1Cc1ccc(S(=O)(=O)c2cn(C(=O)N(C)C)c3ccccc23)cc1.
What is the InChIKey of N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylindole-1-carboxamide?
The InChIKey is PBRYJLFJBMXZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S/c1-17-27-21-14-26-13-12-23(21)29(17)15-18-8-10-19(11-9-18)34(32,33)24-16-30(25(31)28(2)3)22-7-5-4-6-20(22)24/h4-14,16H,15H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylindole-1-carboxamide?
N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylindole-1-carboxamide has a molecular weight of 473.56 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylindole-1-carboxamide is sourced from PubChem (CID 10504663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).