1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-(4-methylsulfonylbutan-2-yl)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

C30H33FN6O4S — CID 143808172

IUPAC1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-(4-methylsulfonylbutan-2-yl)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC(CCS(C)(=O)=O)c1cc(C(=O)N2CCc3cc(F)ccc32)cc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)n1
InChIInChI=1S/C30H33FN6O4S/c1-19(10-15-42(2,40)41)24-17-21(29(38)36-14-7-20-16-22(31)5-6-25(20)36)18-27(33-24)35-12-8-23(9-13-35)37-26-4-3-11-32-28(26)34-30(37)39/h3-6,11,16-19,23H,7-10,12-15H2,1-2H3,(H,32,34,39)
InChIKeyQTQPUSUHMFIPFI-UHFFFAOYSA-N
MW592.70 g/mol
LogP3.84
Rot. Bonds7

About 1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-(4-methylsulfonylbutan-2-yl)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-(4-methylsulfonylbutan-2-yl)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 143808172) has the molecular formula C30H33FN6O4S and a molecular weight of 592.70 g/mol. Its IUPAC name is 1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-(4-methylsulfonylbutan-2-yl)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-(4-methylsulfonylbutan-2-yl)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID143808172
Molecular FormulaC30H33FN6O4S
Molecular Weight592.70 g/mol
Exact Mass592.23
IUPAC Name1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-(4-methylsulfonylbutan-2-yl)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC(CCS(C)(=O)=O)c1cc(C(=O)N2CCc3cc(F)ccc32)cc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)n1
InChIInChI=1S/C30H33FN6O4S/c1-19(10-15-42(2,40)41)24-17-21(29(38)36-14-7-20-16-22(31)5-6-25(20)36)18-27(33-24)35-12-8-23(9-13-35)37-26-4-3-11-32-28(26)34-30(37)39/h3-6,11,16-19,23H,7-10,12-15H2,1-2H3,(H,32,34,39)
InChIKeyQTQPUSUHMFIPFI-UHFFFAOYSA-N
XLogP3.84
TPSA121.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.70
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-(4-methylsulfonylbutan-2-yl)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-(4-methylsulfonylbutan-2-yl)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-(4-methylsulfonylbutan-2-yl)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 143808172) is 1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-(4-methylsulfonylbutan-2-yl)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-(4-methylsulfonylbutan-2-yl)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-(4-methylsulfonylbutan-2-yl)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is CC(CCS(C)(=O)=O)c1cc(C(=O)N2CCc3cc(F)ccc32)cc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)n1.
What is the InChIKey of 1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-(4-methylsulfonylbutan-2-yl)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is QTQPUSUHMFIPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN6O4S/c1-19(10-15-42(2,40)41)24-17-21(29(38)36-14-7-20-16-22(31)5-6-25(20)36)18-27(33-24)35-12-8-23(9-13-35)37-26-4-3-11-32-28(26)34-30(37)39/h3-6,11,16-19,23H,7-10,12-15H2,1-2H3,(H,32,34,39).
What are the key properties of 1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-(4-methylsulfonylbutan-2-yl)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-(4-methylsulfonylbutan-2-yl)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 592.70 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-(4-methylsulfonylbutan-2-yl)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 143808172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).