4-[3-[fluoro-(3-methyl-2-pyridinyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C24H25FN4O4S — CID 167433984

IUPAC4-[3-[fluoro-(3-methyl-2-pyridinyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(-c3sc(C(C)(C)O)cc3OC(F)c3ncccc3C)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C24H25FN4O4S/c1-12-7-6-8-27-18(12)21(25)33-16-10-17(24(2,3)32)34-20(16)14-11-29(5)23(31)19-13(14)9-15(28-19)22(30)26-4/h6-11,21,28,32H,1-5H3,(H,26,30)
InChIKeyJOODNVWHYZFBPC-UHFFFAOYSA-N
MW484.55 g/mol
LogP3.93
Rot. Bonds6

About 4-[3-[fluoro-(3-methyl-2-pyridinyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

4-[3-[fluoro-(3-methyl-2-pyridinyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 167433984) has the molecular formula C24H25FN4O4S and a molecular weight of 484.55 g/mol. Its IUPAC name is 4-[3-[fluoro-(3-methyl-2-pyridinyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[fluoro-(3-methyl-2-pyridinyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID167433984
Molecular FormulaC24H25FN4O4S
Molecular Weight484.55 g/mol
Exact Mass484.16
IUPAC Name4-[3-[fluoro-(3-methyl-2-pyridinyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(-c3sc(C(C)(C)O)cc3OC(F)c3ncccc3C)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C24H25FN4O4S/c1-12-7-6-8-27-18(12)21(25)33-16-10-17(24(2,3)32)34-20(16)14-11-29(5)23(31)19-13(14)9-15(28-19)22(30)26-4/h6-11,21,28,32H,1-5H3,(H,26,30)
InChIKeyJOODNVWHYZFBPC-UHFFFAOYSA-N
XLogP3.93
TPSA109.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[3-[fluoro-(3-methyl-2-pyridinyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-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-[fluoro-(3-methyl-2-pyridinyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-[3-[fluoro-(3-methyl-2-pyridinyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 167433984) is 4-[3-[fluoro-(3-methyl-2-pyridinyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-[3-[fluoro-(3-methyl-2-pyridinyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-[3-[fluoro-(3-methyl-2-pyridinyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CNC(=O)c1cc2c(-c3sc(C(C)(C)O)cc3OC(F)c3ncccc3C)cn(C)c(=O)c2[nH]1.
What is the InChIKey of 4-[3-[fluoro-(3-methyl-2-pyridinyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is JOODNVWHYZFBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4S/c1-12-7-6-8-27-18(12)21(25)33-16-10-17(24(2,3)32)34-20(16)14-11-29(5)23(31)19-13(14)9-15(28-19)22(30)26-4/h6-11,21,28,32H,1-5H3,(H,26,30).
What are the key properties of 4-[3-[fluoro-(3-methyl-2-pyridinyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
4-[3-[fluoro-(3-methyl-2-pyridinyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 484.55 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[fluoro-(3-methyl-2-pyridinyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 167433984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).