N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H26F3N7O2 — CID 163408821

IUPACN-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnn2ccc(N[C@@H]3CCCNC3)nc12
InChIInChI=1S/C23H26F3N7O2/c24-23(25,26)18-12-16(32-8-10-35-11-9-32)3-4-19(18)30-22(34)17-14-28-33-7-5-20(31-21(17)33)29-15-2-1-6-27-13-15/h3-5,7,12,14-15,27H,1-2,6,8-11,13H2,(H,29,31)(H,30,34)/t15-/m1/s1
InChIKeyOVUNCUIZEBAAGC-OAHLLOKOSA-N
MW489.50 g/mol
LogP3.00
Rot. Bonds5

About N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 163408821) has the molecular formula C23H26F3N7O2 and a molecular weight of 489.50 g/mol. Its IUPAC name is N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID163408821
Molecular FormulaC23H26F3N7O2
Molecular Weight489.50 g/mol
Exact Mass489.21
IUPAC NameN-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnn2ccc(N[C@@H]3CCCNC3)nc12
InChIInChI=1S/C23H26F3N7O2/c24-23(25,26)18-12-16(32-8-10-35-11-9-32)3-4-19(18)30-22(34)17-14-28-33-7-5-20(31-21(17)33)29-15-2-1-6-27-13-15/h3-5,7,12,14-15,27H,1-2,6,8-11,13H2,(H,29,31)(H,30,34)/t15-/m1/s1
InChIKeyOVUNCUIZEBAAGC-OAHLLOKOSA-N
XLogP3.00
TPSA95.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-piperidin-3-yl]amino]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 N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 163408821) is N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnn2ccc(N[C@@H]3CCCNC3)nc12.
What is the InChIKey of N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OVUNCUIZEBAAGC-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H26F3N7O2/c24-23(25,26)18-12-16(32-8-10-35-11-9-32)3-4-19(18)30-22(34)17-14-28-33-7-5-20(31-21(17)33)29-15-2-1-6-27-13-15/h3-5,7,12,14-15,27H,1-2,6,8-11,13H2,(H,29,31)(H,30,34)/t15-/m1/s1.
What are the key properties of N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 489.50 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 163408821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).