2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

C24H22F3N7O2 — CID 70817588

IUPAC2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cn(C4CC4)nc3C(F)(F)F)c2)c2cncnc21
InChIInChI=1S/C24H22F3N7O2/c1-13(2)33-11-19(18-9-29-12-30-23(18)33)21(36)14-5-16(8-28-7-14)31-20(35)6-15-10-34(17-3-4-17)32-22(15)24(25,26)27/h5,7-13,17H,3-4,6H2,1-2H3,(H,31,35)
InChIKeyIDBTWZIMQSBGPY-UHFFFAOYSA-N
MW497.48 g/mol
LogP4.37
Rot. Bonds7

About 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 70817588) has the molecular formula C24H22F3N7O2 and a molecular weight of 497.48 g/mol. Its IUPAC name is 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID70817588
Molecular FormulaC24H22F3N7O2
Molecular Weight497.48 g/mol
Exact Mass497.18
IUPAC Name2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cn(C4CC4)nc3C(F)(F)F)c2)c2cncnc21
InChIInChI=1S/C24H22F3N7O2/c1-13(2)33-11-19(18-9-29-12-30-23(18)33)21(36)14-5-16(8-28-7-14)31-20(35)6-15-10-34(17-3-4-17)32-22(15)24(25,26)27/h5,7-13,17H,3-4,6H2,1-2H3,(H,31,35)
InChIKeyIDBTWZIMQSBGPY-UHFFFAOYSA-N
XLogP4.37
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 70817588) is 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cn(C4CC4)nc3C(F)(F)F)c2)c2cncnc21.
What is the InChIKey of 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is IDBTWZIMQSBGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7O2/c1-13(2)33-11-19(18-9-29-12-30-23(18)33)21(36)14-5-16(8-28-7-14)31-20(35)6-15-10-34(17-3-4-17)32-22(15)24(25,26)27/h5,7-13,17H,3-4,6H2,1-2H3,(H,31,35).
What are the key properties of 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 497.48 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 70817588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).