4-[3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-5-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C28H33FN4O4S — CID 167433977

IUPAC4-[3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-5-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCc1cc(F)cnc1Oc1cc(C(C)(C)C(C)(C)O)sc1-c1cn(C)c(=O)c2[nH]c(C(=O)NC(C)C)cc12
InChIInChI=1S/C28H33FN4O4S/c1-14(2)31-24(34)19-10-17-18(13-33(8)26(35)22(17)32-19)23-20(37-25-15(3)9-16(29)12-30-25)11-21(38-23)27(4,5)28(6,7)36/h9-14,32,36H,1-8H3,(H,31,34)
InChIKeyKPQQCRVMBHGXMP-UHFFFAOYSA-N
MW540.66 g/mol
LogP5.42
Rot. Bonds7

About 4-[3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-5-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

4-[3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-5-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 167433977) has the molecular formula C28H33FN4O4S and a molecular weight of 540.66 g/mol. Its IUPAC name is 4-[3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-5-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-5-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID167433977
Molecular FormulaC28H33FN4O4S
Molecular Weight540.66 g/mol
Exact Mass540.22
IUPAC Name4-[3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-5-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCc1cc(F)cnc1Oc1cc(C(C)(C)C(C)(C)O)sc1-c1cn(C)c(=O)c2[nH]c(C(=O)NC(C)C)cc12
InChIInChI=1S/C28H33FN4O4S/c1-14(2)31-24(34)19-10-17-18(13-33(8)26(35)22(17)32-19)23-20(37-25-15(3)9-16(29)12-30-25)11-21(38-23)27(4,5)28(6,7)36/h9-14,32,36H,1-8H3,(H,31,34)
InChIKeyKPQQCRVMBHGXMP-UHFFFAOYSA-N
XLogP5.42
TPSA109.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.66
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-5-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-5-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-[3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-5-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 167433977) is 4-[3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-5-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-[3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-5-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-[3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-5-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is Cc1cc(F)cnc1Oc1cc(C(C)(C)C(C)(C)O)sc1-c1cn(C)c(=O)c2[nH]c(C(=O)NC(C)C)cc12.
What is the InChIKey of 4-[3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-5-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is KPQQCRVMBHGXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN4O4S/c1-14(2)31-24(34)19-10-17-18(13-33(8)26(35)22(17)32-19)23-20(37-25-15(3)9-16(29)12-30-25)11-21(38-23)27(4,5)28(6,7)36/h9-14,32,36H,1-8H3,(H,31,34).
What are the key properties of 4-[3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-5-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
4-[3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-5-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 540.66 g/mol, XLogP of 5.42, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-5-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 167433977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).