N-[3-[5-(7-azabicyclo[2.2.1]heptan-7-yl)-2-fluorophenyl]-1-methylpyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazole-3-sulfonamide

C24H25FN6O2S — CID 90186628

IUPACN-[3-[5-(7-azabicyclo[2.2.1]heptan-7-yl)-2-fluorophenyl]-1-methylpyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)Nc2ccnc3c2c(-c2cc(N4C5CCC4CC5)ccc2F)cn3C)n1
InChIInChI=1S/C24H25FN6O2S/c1-29-14-19(18-13-17(7-8-20(18)25)31-15-3-4-16(31)6-5-15)23-21(9-11-26-24(23)29)28-34(32,33)22-10-12-30(2)27-22/h7-16H,3-6H2,1-2H3,(H,26,28)
InChIKeyGNJKQAZOQRHXNW-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.04
Rot. Bonds5

About N-[3-[5-(7-azabicyclo[2.2.1]heptan-7-yl)-2-fluorophenyl]-1-methylpyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazole-3-sulfonamide

N-[3-[5-(7-azabicyclo[2.2.1]heptan-7-yl)-2-fluorophenyl]-1-methylpyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazole-3-sulfonamide (PubChem CID 90186628) has the molecular formula C24H25FN6O2S and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[3-[5-(7-azabicyclo[2.2.1]heptan-7-yl)-2-fluorophenyl]-1-methylpyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[3-[5-(7-azabicyclo[2.2.1]heptan-7-yl)-2-fluorophenyl]-1-methylpyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazole-3-sulfonamide
PubChem CID90186628
Molecular FormulaC24H25FN6O2S
Molecular Weight480.57 g/mol
Exact Mass480.17
IUPAC NameN-[3-[5-(7-azabicyclo[2.2.1]heptan-7-yl)-2-fluorophenyl]-1-methylpyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)Nc2ccnc3c2c(-c2cc(N4C5CCC4CC5)ccc2F)cn3C)n1
InChIInChI=1S/C24H25FN6O2S/c1-29-14-19(18-13-17(7-8-20(18)25)31-15-3-4-16(31)6-5-15)23-21(9-11-26-24(23)29)28-34(32,33)22-10-12-30(2)27-22/h7-16H,3-6H2,1-2H3,(H,26,28)
InChIKeyGNJKQAZOQRHXNW-UHFFFAOYSA-N
XLogP4.04
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-[5-(7-azabicyclo[2.2.1]heptan-7-yl)-2-fluorophenyl]-1-methylpyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazole-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(7-azabicyclo[2.2.1]heptan-7-yl)-2-fluorophenyl]-1-methylpyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazole-3-sulfonamide?
The IUPAC name of N-[3-[5-(7-azabicyclo[2.2.1]heptan-7-yl)-2-fluorophenyl]-1-methylpyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazole-3-sulfonamide (CID 90186628) is N-[3-[5-(7-azabicyclo[2.2.1]heptan-7-yl)-2-fluorophenyl]-1-methylpyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[3-[5-(7-azabicyclo[2.2.1]heptan-7-yl)-2-fluorophenyl]-1-methylpyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-[3-[5-(7-azabicyclo[2.2.1]heptan-7-yl)-2-fluorophenyl]-1-methylpyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazole-3-sulfonamide is Cn1ccc(S(=O)(=O)Nc2ccnc3c2c(-c2cc(N4C5CCC4CC5)ccc2F)cn3C)n1.
What is the InChIKey of N-[3-[5-(7-azabicyclo[2.2.1]heptan-7-yl)-2-fluorophenyl]-1-methylpyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazole-3-sulfonamide?
The InChIKey is GNJKQAZOQRHXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2S/c1-29-14-19(18-13-17(7-8-20(18)25)31-15-3-4-16(31)6-5-15)23-21(9-11-26-24(23)29)28-34(32,33)22-10-12-30(2)27-22/h7-16H,3-6H2,1-2H3,(H,26,28).
What are the key properties of N-[3-[5-(7-azabicyclo[2.2.1]heptan-7-yl)-2-fluorophenyl]-1-methylpyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazole-3-sulfonamide?
N-[3-[5-(7-azabicyclo[2.2.1]heptan-7-yl)-2-fluorophenyl]-1-methylpyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazole-3-sulfonamide has a molecular weight of 480.57 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(7-azabicyclo[2.2.1]heptan-7-yl)-2-fluorophenyl]-1-methylpyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 90186628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).