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

C25H27FN4O4S — CID 167433979

IUPAC4-[3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-5-(2-hydroxypropan-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)O)sc1-c1cn(C)c(=O)c2[nH]c(C(=O)NC(C)C)cc12
InChIInChI=1S/C25H27FN4O4S/c1-12(2)28-22(31)17-8-15-16(11-30(6)24(32)20(15)29-17)21-18(9-19(35-21)25(4,5)33)34-23-13(3)7-14(26)10-27-23/h7-12,29,33H,1-6H3,(H,28,31)
InChIKeyUOSHDMDTONNZNM-UHFFFAOYSA-N
MW498.58 g/mol
LogP4.60
Rot. Bonds6

About 4-[3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-5-(2-hydroxypropan-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-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 167433979) has the molecular formula C25H27FN4O4S and a molecular weight of 498.58 g/mol. Its IUPAC name is 4-[3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-5-(2-hydroxypropan-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-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID167433979
Molecular FormulaC25H27FN4O4S
Molecular Weight498.58 g/mol
Exact Mass498.17
IUPAC Name4-[3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-5-(2-hydroxypropan-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)O)sc1-c1cn(C)c(=O)c2[nH]c(C(=O)NC(C)C)cc12
InChIInChI=1S/C25H27FN4O4S/c1-12(2)28-22(31)17-8-15-16(11-30(6)24(32)20(15)29-17)21-18(9-19(35-21)25(4,5)33)34-23-13(3)7-14(26)10-27-23/h7-12,29,33H,1-6H3,(H,28,31)
InChIKeyUOSHDMDTONNZNM-UHFFFAOYSA-N
XLogP4.60
TPSA109.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-5-(2-hydroxypropan-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-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 167433979) is 4-[3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-5-(2-hydroxypropan-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-(2-hydroxypropan-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-(2-hydroxypropan-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)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-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is UOSHDMDTONNZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O4S/c1-12(2)28-22(31)17-8-15-16(11-30(6)24(32)20(15)29-17)21-18(9-19(35-21)25(4,5)33)34-23-13(3)7-14(26)10-27-23/h7-12,29,33H,1-6H3,(H,28,31).
What are the key properties of 4-[3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-5-(2-hydroxypropan-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-(2-hydroxypropan-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 498.58 g/mol, XLogP of 4.60, 6 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-(2-hydroxypropan-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 167433979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).