2-methyl-N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H18F3N7O2 — CID 123875507

IUPAC2-methyl-N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2ccc(N3CCCC3C(F)(F)F)nc2c1C(=O)Nc1cccc(-c2cnco2)n1
InChIInChI=1S/C21H18F3N7O2/c1-12-18(20(32)27-16-6-2-4-13(26-16)14-10-25-11-33-14)19-28-17(7-9-31(19)29-12)30-8-3-5-15(30)21(22,23)24/h2,4,6-7,9-11,15H,3,5,8H2,1H3,(H,26,27,32)
InChIKeyKAXOFFOKTXHYDT-UHFFFAOYSA-N
MW457.42 g/mol
LogP3.87
Rot. Bonds4

About 2-methyl-N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-methyl-N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 123875507) has the molecular formula C21H18F3N7O2 and a molecular weight of 457.42 g/mol. Its IUPAC name is 2-methyl-N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID123875507
Molecular FormulaC21H18F3N7O2
Molecular Weight457.42 g/mol
Exact Mass457.15
IUPAC Name2-methyl-N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2ccc(N3CCCC3C(F)(F)F)nc2c1C(=O)Nc1cccc(-c2cnco2)n1
InChIInChI=1S/C21H18F3N7O2/c1-12-18(20(32)27-16-6-2-4-13(26-16)14-10-25-11-33-14)19-28-17(7-9-31(19)29-12)30-8-3-5-15(30)21(22,23)24/h2,4,6-7,9-11,15H,3,5,8H2,1H3,(H,26,27,32)
InChIKeyKAXOFFOKTXHYDT-UHFFFAOYSA-N
XLogP3.87
TPSA101.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-methyl-N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 123875507) is 2-methyl-N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2ccc(N3CCCC3C(F)(F)F)nc2c1C(=O)Nc1cccc(-c2cnco2)n1.
What is the InChIKey of 2-methyl-N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KAXOFFOKTXHYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N7O2/c1-12-18(20(32)27-16-6-2-4-13(26-16)14-10-25-11-33-14)19-28-17(7-9-31(19)29-12)30-8-3-5-15(30)21(22,23)24/h2,4,6-7,9-11,15H,3,5,8H2,1H3,(H,26,27,32).
What are the key properties of 2-methyl-N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-methyl-N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 457.42 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 123875507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).