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

C22H24F3N7O3 — CID 90684019

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)NC1CC(C(=O)c2cn(C(C)C)c3ncncc23)CNC1=O
InChIInChI=1S/C22H24F3N7O3/c1-11(2)31-8-15(14-7-26-10-28-20(14)31)19(34)13-5-16(21(35)27-6-13)29-18(33)9-32-12(3)4-17(30-32)22(23,24)25/h4,7-8,10-11,13,16H,5-6,9H2,1-3H3,(H,27,35)(H,29,33)
InChIKeyWVQUCBJBNQJFEJ-UHFFFAOYSA-N
MW491.47 g/mol
LogP2.04
Rot. Bonds6

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

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide (PubChem CID 90684019) has the molecular formula C22H24F3N7O3 and a molecular weight of 491.47 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide
PubChem CID90684019
Molecular FormulaC22H24F3N7O3
Molecular Weight491.47 g/mol
Exact Mass491.19
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)NC1CC(C(=O)c2cn(C(C)C)c3ncncc23)CNC1=O
InChIInChI=1S/C22H24F3N7O3/c1-11(2)31-8-15(14-7-26-10-28-20(14)31)19(34)13-5-16(21(35)27-6-13)29-18(33)9-32-12(3)4-17(30-32)22(23,24)25/h4,7-8,10-11,13,16H,5-6,9H2,1-3H3,(H,27,35)(H,29,33)
InChIKeyWVQUCBJBNQJFEJ-UHFFFAOYSA-N
XLogP2.04
TPSA123.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.47
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide (CID 90684019) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)NC1CC(C(=O)c2cn(C(C)C)c3ncncc23)CNC1=O.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide?
The InChIKey is WVQUCBJBNQJFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N7O3/c1-11(2)31-8-15(14-7-26-10-28-20(14)31)19(34)13-5-16(21(35)27-6-13)29-18(33)9-32-12(3)4-17(30-32)22(23,24)25/h4,7-8,10-11,13,16H,5-6,9H2,1-3H3,(H,27,35)(H,29,33).
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 491.47 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 90684019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).