N-[2-ethoxy-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C24H24F3N7O3 — CID 70817762

IUPACN-[2-ethoxy-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCOc1ncc(C(=O)c2cn(C(C)C)c3ncncc23)cc1NC(=O)Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C24H24F3N7O3/c1-5-37-23-18(31-20(35)11-34-14(4)6-19(32-34)24(25,26)27)7-15(8-29-23)21(36)17-10-33(13(2)3)22-16(17)9-28-12-30-22/h6-10,12-13H,5,11H2,1-4H3,(H,31,35)
InChIKeyVJRAWYNHCSFRFL-UHFFFAOYSA-N
MW515.50 g/mol
LogP4.20
Rot. Bonds8

About N-[2-ethoxy-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[2-ethoxy-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 70817762) has the molecular formula C24H24F3N7O3 and a molecular weight of 515.50 g/mol. Its IUPAC name is N-[2-ethoxy-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-ethoxy-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID70817762
Molecular FormulaC24H24F3N7O3
Molecular Weight515.50 g/mol
Exact Mass515.19
IUPAC NameN-[2-ethoxy-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCOc1ncc(C(=O)c2cn(C(C)C)c3ncncc23)cc1NC(=O)Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C24H24F3N7O3/c1-5-37-23-18(31-20(35)11-34-14(4)6-19(32-34)24(25,26)27)7-15(8-29-23)21(36)17-10-33(13(2)3)22-16(17)9-28-12-30-22/h6-10,12-13H,5,11H2,1-4H3,(H,31,35)
InChIKeyVJRAWYNHCSFRFL-UHFFFAOYSA-N
XLogP4.20
TPSA116.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[2-ethoxy-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 70817762) is N-[2-ethoxy-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[2-ethoxy-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[2-ethoxy-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is CCOc1ncc(C(=O)c2cn(C(C)C)c3ncncc23)cc1NC(=O)Cn1nc(C(F)(F)F)cc1C.
What is the InChIKey of N-[2-ethoxy-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is VJRAWYNHCSFRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O3/c1-5-37-23-18(31-20(35)11-34-14(4)6-19(32-34)24(25,26)27)7-15(8-29-23)21(36)17-10-33(13(2)3)22-16(17)9-28-12-30-22/h6-10,12-13H,5,11H2,1-4H3,(H,31,35).
What are the key properties of N-[2-ethoxy-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[2-ethoxy-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 515.50 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 70817762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).