4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C22H22F3N7O2 — CID 10254260

IUPAC4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESNc1nccc(COc2cccnc2N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C22H22F3N7O2/c23-22(24,25)15-3-1-4-16(13-15)30-21(33)32-11-9-31(10-12-32)19-18(5-2-7-27-19)34-14-17-6-8-28-20(26)29-17/h1-8,13H,9-12,14H2,(H,30,33)(H2,26,28,29)
InChIKeyPMQAMLIWZPOQKN-UHFFFAOYSA-N
MW473.46 g/mol
LogP3.41
Rot. Bonds5

About 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 10254260) has the molecular formula C22H22F3N7O2 and a molecular weight of 473.46 g/mol. Its IUPAC name is 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID10254260
Molecular FormulaC22H22F3N7O2
Molecular Weight473.46 g/mol
Exact Mass473.18
IUPAC Name4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESNc1nccc(COc2cccnc2N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C22H22F3N7O2/c23-22(24,25)15-3-1-4-16(13-15)30-21(33)32-11-9-31(10-12-32)19-18(5-2-7-27-19)34-14-17-6-8-28-20(26)29-17/h1-8,13H,9-12,14H2,(H,30,33)(H2,26,28,29)
InChIKeyPMQAMLIWZPOQKN-UHFFFAOYSA-N
XLogP3.41
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-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 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 10254260) is 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is Nc1nccc(COc2cccnc2N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)n1.
What is the InChIKey of 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is PMQAMLIWZPOQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N7O2/c23-22(24,25)15-3-1-4-16(13-15)30-21(33)32-11-9-31(10-12-32)19-18(5-2-7-27-19)34-14-17-6-8-28-20(26)29-17/h1-8,13H,9-12,14H2,(H,30,33)(H2,26,28,29).
What are the key properties of 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 473.46 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-aminopyrimidin-4-yl)methoxy]-2-pyridinyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 10254260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).