1-[5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-oxopropane-2-sulfonamide

C24H25FN4O4S — CID 90420167

IUPAC1-[5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-oxopropane-2-sulfonamide
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CC4CN(C(=O)C(C)S(N)(=O)=O)CC4C3)cc12
InChIInChI=1S/C24H25FN4O4S/c1-13(34(26,31)32)24(30)29-11-15-7-14(8-16(15)12-29)21-10-20-18(5-6-27-23(20)28-21)19-9-17(25)3-4-22(19)33-2/h3-7,9-10,13,15-16H,8,11-12H2,1-2H3,(H,27,28)(H2,26,31,32)
InChIKeyWCGCRMORULGSDN-UHFFFAOYSA-N
MW484.55 g/mol
LogP2.92
Rot. Bonds5

About 1-[5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-oxopropane-2-sulfonamide

1-[5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-oxopropane-2-sulfonamide (PubChem CID 90420167) has the molecular formula C24H25FN4O4S and a molecular weight of 484.55 g/mol. Its IUPAC name is 1-[5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-oxopropane-2-sulfonamide.

Molecular Properties

Compound Name1-[5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-oxopropane-2-sulfonamide
PubChem CID90420167
Molecular FormulaC24H25FN4O4S
Molecular Weight484.55 g/mol
Exact Mass484.16
IUPAC Name1-[5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-oxopropane-2-sulfonamide
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CC4CN(C(=O)C(C)S(N)(=O)=O)CC4C3)cc12
InChIInChI=1S/C24H25FN4O4S/c1-13(34(26,31)32)24(30)29-11-15-7-14(8-16(15)12-29)21-10-20-18(5-6-27-23(20)28-21)19-9-17(25)3-4-22(19)33-2/h3-7,9-10,13,15-16H,8,11-12H2,1-2H3,(H,27,28)(H2,26,31,32)
InChIKeyWCGCRMORULGSDN-UHFFFAOYSA-N
XLogP2.92
TPSA118.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-oxopropane-2-sulfonamide with MolForge

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Related Compounds

N-[4-fluoro-3-[6-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 76321574
N-[4-fluoro-3-[6-(2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 76328740
4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 81689869
4-(5-Fluoro-2-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90411400
{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}acetic acid
CID 90412012
1-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxyethanone
CID 90412498
4-(4-Fluoro-2-methoxyphenyl)-2-(4-piperidinyl)-1H-pyrrolo[2,3-b]pyridine
CID 90412502
4-(5-fluoro-2-methoxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90412625
4-(4-fluoro-2-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90412915
4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-ene-1-carboxylic acid
CID 90413704
US9796708, Example 605
CID 90420341
US9796708, Example 228
CID 139208035

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-oxopropane-2-sulfonamide?
The IUPAC name of 1-[5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-oxopropane-2-sulfonamide (CID 90420167) is 1-[5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-oxopropane-2-sulfonamide.
What is the SMILES notation for 1-[5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-oxopropane-2-sulfonamide?
The canonical SMILES for 1-[5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-oxopropane-2-sulfonamide is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CC4CN(C(=O)C(C)S(N)(=O)=O)CC4C3)cc12.
What is the InChIKey of 1-[5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-oxopropane-2-sulfonamide?
The InChIKey is WCGCRMORULGSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4S/c1-13(34(26,31)32)24(30)29-11-15-7-14(8-16(15)12-29)21-10-20-18(5-6-27-23(20)28-21)19-9-17(25)3-4-22(19)33-2/h3-7,9-10,13,15-16H,8,11-12H2,1-2H3,(H,27,28)(H2,26,31,32).
What are the key properties of 1-[5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-oxopropane-2-sulfonamide?
1-[5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-oxopropane-2-sulfonamide has a molecular weight of 484.55 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-oxopropane-2-sulfonamide is sourced from PubChem (CID 90420167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).