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

C24H20F3N7O2 — CID 118274550

IUPACN-[2-cyano-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)Nc1cc(C(=O)c2cn(C(C)C)c3ncncc23)ccc1C#N
InChIInChI=1S/C24H20F3N7O2/c1-13(2)33-10-18(17-9-29-12-30-23(17)33)22(36)15-4-5-16(8-28)19(7-15)31-21(35)11-34-14(3)6-20(32-34)24(25,26)27/h4-7,9-10,12-13H,11H2,1-3H3,(H,31,35)
InChIKeyXZNALICRZCKSPS-UHFFFAOYSA-N
MW495.47 g/mol
LogP4.28
Rot. Bonds6

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

N-[2-cyano-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 118274550) has the molecular formula C24H20F3N7O2 and a molecular weight of 495.47 g/mol. Its IUPAC name is N-[2-cyano-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-cyano-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID118274550
Molecular FormulaC24H20F3N7O2
Molecular Weight495.47 g/mol
Exact Mass495.16
IUPAC NameN-[2-cyano-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)Nc1cc(C(=O)c2cn(C(C)C)c3ncncc23)ccc1C#N
InChIInChI=1S/C24H20F3N7O2/c1-13(2)33-10-18(17-9-29-12-30-23(17)33)22(36)15-4-5-16(8-28)19(7-15)31-21(35)11-34-14(3)6-20(32-34)24(25,26)27/h4-7,9-10,12-13H,11H2,1-3H3,(H,31,35)
InChIKeyXZNALICRZCKSPS-UHFFFAOYSA-N
XLogP4.28
TPSA118.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[2-cyano-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 118274550) is N-[2-cyano-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[2-cyano-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[2-cyano-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cc(C(=O)c2cn(C(C)C)c3ncncc23)ccc1C#N.
What is the InChIKey of N-[2-cyano-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is XZNALICRZCKSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O2/c1-13(2)33-10-18(17-9-29-12-30-23(17)33)22(36)15-4-5-16(8-28)19(7-15)31-21(35)11-34-14(3)6-20(32-34)24(25,26)27/h4-7,9-10,12-13H,11H2,1-3H3,(H,31,35).
What are the key properties of N-[2-cyano-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[2-cyano-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 495.47 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyano-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 118274550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).