N-cyclopropylsulfonyl-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-ene-1-carboxamide

C24H24FN3O4S — CID 90420612

IUPACN-cyclopropylsulfonyl-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-ene-1-carboxamide
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCC(C(=O)NS(=O)(=O)C4CC4)CC3)cc12
InChIInChI=1S/C24H24FN3O4S/c1-32-22-9-6-16(25)12-19(22)18-10-11-26-23-20(18)13-21(27-23)14-2-4-15(5-3-14)24(29)28-33(30,31)17-7-8-17/h2,6,9-13,15,17H,3-5,7-8H2,1H3,(H,26,27)(H,28,29)
InChIKeyZJGQHUUXWQAYKF-UHFFFAOYSA-N
MW469.54 g/mol
LogP4.17
Rot. Bonds6

About N-cyclopropylsulfonyl-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-ene-1-carboxamide

N-cyclopropylsulfonyl-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-ene-1-carboxamide (PubChem CID 90420612) has the molecular formula C24H24FN3O4S and a molecular weight of 469.54 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-ene-1-carboxamide
PubChem CID90420612
Molecular FormulaC24H24FN3O4S
Molecular Weight469.54 g/mol
Exact Mass469.15
IUPAC NameN-cyclopropylsulfonyl-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-ene-1-carboxamide
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCC(C(=O)NS(=O)(=O)C4CC4)CC3)cc12
InChIInChI=1S/C24H24FN3O4S/c1-32-22-9-6-16(25)12-19(22)18-10-11-26-23-20(18)13-21(27-23)14-2-4-15(5-3-14)24(29)28-33(30,31)17-7-8-17/h2,6,9-13,15,17H,3-5,7-8H2,1H3,(H,26,27)(H,28,29)
InChIKeyZJGQHUUXWQAYKF-UHFFFAOYSA-N
XLogP4.17
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-ene-1-carboxamide
CID 118897491
N-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-yl]-2-hydroxyacetamide
CID 90419996
2-[4-[(1S)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-yl]piperidin-1-yl]acetic acid
CID 118897322
2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-yl]oxy-1-morpholin-4-ylethanone
CID 118897307
4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-one
CID 90413654
(2R)-2-[[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-yl]amino]-2-phenylacetic acid
CID 90420897
(2S,3S)-2-[[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-yl]amino]-3-methylpentanoic acid
CID 90421338
1-[[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidine-4-carboxylic acid
CID 90420143
4-(5-fluoro-2-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)cyclohexen-1-yl]-1H-pyrrolo[2,3-b]pyridine
CID 90420322
tert-butyl 2-[4-[(1R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-yl]piperidin-1-yl]acetate
CID 118897276
N-cyclohexyl-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 90421015
methyl 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]acetate
CID 139208113

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-ene-1-carboxamide (CID 90420612) is N-cyclopropylsulfonyl-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-ene-1-carboxamide is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCC(C(=O)NS(=O)(=O)C4CC4)CC3)cc12.
What is the InChIKey of N-cyclopropylsulfonyl-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-ene-1-carboxamide?
The InChIKey is ZJGQHUUXWQAYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4S/c1-32-22-9-6-16(25)12-19(22)18-10-11-26-23-20(18)13-21(27-23)14-2-4-15(5-3-14)24(29)28-33(30,31)17-7-8-17/h2,6,9-13,15,17H,3-5,7-8H2,1H3,(H,26,27)(H,28,29).
What are the key properties of N-cyclopropylsulfonyl-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-ene-1-carboxamide?
N-cyclopropylsulfonyl-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-ene-1-carboxamide has a molecular weight of 469.54 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 90420612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).