N-cyclohexyl-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]benzenesulfonamide

C26H29N5O3S — CID 11329350

IUPACN-cyclohexyl-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]benzenesulfonamide
SMILESCOc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)cc3[nH]2)c1
InChIInChI=1S/C26H29N5O3S/c1-34-22-13-14-27-21(16-22)9-12-25-29-24-15-19(17-28-26(24)30-25)18-7-10-23(11-8-18)35(32,33)31-20-5-3-2-4-6-20/h7-8,10-11,13-17,20,31H,2-6,9,12H2,1H3,(H,28,29,30)
InChIKeyRFQOODXCIVRTLB-UHFFFAOYSA-N
MW491.62 g/mol
LogP4.42
Rot. Bonds8

About N-cyclohexyl-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]benzenesulfonamide

N-cyclohexyl-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]benzenesulfonamide (PubChem CID 11329350) has the molecular formula C26H29N5O3S and a molecular weight of 491.62 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]benzenesulfonamide
PubChem CID11329350
Molecular FormulaC26H29N5O3S
Molecular Weight491.62 g/mol
Exact Mass491.20
IUPAC NameN-cyclohexyl-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]benzenesulfonamide
SMILESCOc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)cc3[nH]2)c1
InChIInChI=1S/C26H29N5O3S/c1-34-22-13-14-27-21(16-22)9-12-25-29-24-15-19(17-28-26(24)30-25)18-7-10-23(11-8-18)35(32,33)31-20-5-3-2-4-6-20/h7-8,10-11,13-17,20,31H,2-6,9,12H2,1H3,(H,28,29,30)
InChIKeyRFQOODXCIVRTLB-UHFFFAOYSA-N
XLogP4.42
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.62
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]benzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]benzenesulfonamide (CID 11329350) is N-cyclohexyl-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]benzenesulfonamide is COc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4)cc3[nH]2)c1.
What is the InChIKey of N-cyclohexyl-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]benzenesulfonamide?
The InChIKey is RFQOODXCIVRTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3S/c1-34-22-13-14-27-21(16-22)9-12-25-29-24-15-19(17-28-26(24)30-25)18-7-10-23(11-8-18)35(32,33)31-20-5-3-2-4-6-20/h7-8,10-11,13-17,20,31H,2-6,9,12H2,1H3,(H,28,29,30).
What are the key properties of N-cyclohexyl-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]benzenesulfonamide?
N-cyclohexyl-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]benzenesulfonamide has a molecular weight of 491.62 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridin-6-yl]benzenesulfonamide is sourced from PubChem (CID 11329350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).