3-[(2S)-2-methyl-4-[2-(trifluoromethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-[5-[2-(propoxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclobutane-1-carboxamide

C32H35F3N8O3 — CID 171034535

IUPAC3-[(2S)-2-methyl-4-[2-(trifluoromethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-[5-[2-(propoxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclobutane-1-carboxamide
SMILESCCCOCc1ncc(-c2ccn3nc(NC(=O)C4CC(N5CCN(C(=O)c6ccnc(C(F)(F)F)c6)C[C@@H]5C)C4)cc3c2)cn1
InChIInChI=1S/C32H35F3N8O3/c1-3-10-46-19-29-37-16-24(17-38-29)21-5-7-43-26(11-21)15-28(40-43)39-30(44)23-12-25(13-23)42-9-8-41(18-20(42)2)31(45)22-4-6-36-27(14-22)32(33,34)35/h4-7,11,14-17,20,23,25H,3,8-10,12-13,18-19H2,1-2H3,(H,39,40,44)/t20-,23?,25?/m0/s1
InChIKeyYOSNJVNNKZSQTJ-UPDUBSDMSA-N
MW636.68 g/mol
LogP4.70
Rot. Bonds9

About 3-[(2S)-2-methyl-4-[2-(trifluoromethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-[5-[2-(propoxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclobutane-1-carboxamide

3-[(2S)-2-methyl-4-[2-(trifluoromethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-[5-[2-(propoxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclobutane-1-carboxamide (PubChem CID 171034535) has the molecular formula C32H35F3N8O3 and a molecular weight of 636.68 g/mol. Its IUPAC name is 3-[(2S)-2-methyl-4-[2-(trifluoromethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-[5-[2-(propoxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-[(2S)-2-methyl-4-[2-(trifluoromethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-[5-[2-(propoxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclobutane-1-carboxamide
PubChem CID171034535
Molecular FormulaC32H35F3N8O3
Molecular Weight636.68 g/mol
Exact Mass636.28
IUPAC Name3-[(2S)-2-methyl-4-[2-(trifluoromethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-[5-[2-(propoxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclobutane-1-carboxamide
SMILESCCCOCc1ncc(-c2ccn3nc(NC(=O)C4CC(N5CCN(C(=O)c6ccnc(C(F)(F)F)c6)C[C@@H]5C)C4)cc3c2)cn1
InChIInChI=1S/C32H35F3N8O3/c1-3-10-46-19-29-37-16-24(17-38-29)21-5-7-43-26(11-21)15-28(40-43)39-30(44)23-12-25(13-23)42-9-8-41(18-20(42)2)31(45)22-4-6-36-27(14-22)32(33,34)35/h4-7,11,14-17,20,23,25H,3,8-10,12-13,18-19H2,1-2H3,(H,39,40,44)/t20-,23?,25?/m0/s1
InChIKeyYOSNJVNNKZSQTJ-UPDUBSDMSA-N
XLogP4.70
TPSA117.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500636.68
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(2S)-2-methyl-4-[2-(trifluoromethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-[5-[2-(propoxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclobutane-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 3-[(2S)-2-methyl-4-[2-(trifluoromethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-[5-[2-(propoxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclobutane-1-carboxamide?
The IUPAC name of 3-[(2S)-2-methyl-4-[2-(trifluoromethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-[5-[2-(propoxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclobutane-1-carboxamide (CID 171034535) is 3-[(2S)-2-methyl-4-[2-(trifluoromethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-[5-[2-(propoxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-[(2S)-2-methyl-4-[2-(trifluoromethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-[5-[2-(propoxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-[(2S)-2-methyl-4-[2-(trifluoromethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-[5-[2-(propoxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclobutane-1-carboxamide is CCCOCc1ncc(-c2ccn3nc(NC(=O)C4CC(N5CCN(C(=O)c6ccnc(C(F)(F)F)c6)C[C@@H]5C)C4)cc3c2)cn1.
What is the InChIKey of 3-[(2S)-2-methyl-4-[2-(trifluoromethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-[5-[2-(propoxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclobutane-1-carboxamide?
The InChIKey is YOSNJVNNKZSQTJ-UPDUBSDMSA-N. The full InChI is InChI=1S/C32H35F3N8O3/c1-3-10-46-19-29-37-16-24(17-38-29)21-5-7-43-26(11-21)15-28(40-43)39-30(44)23-12-25(13-23)42-9-8-41(18-20(42)2)31(45)22-4-6-36-27(14-22)32(33,34)35/h4-7,11,14-17,20,23,25H,3,8-10,12-13,18-19H2,1-2H3,(H,39,40,44)/t20-,23?,25?/m0/s1.
What are the key properties of 3-[(2S)-2-methyl-4-[2-(trifluoromethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-[5-[2-(propoxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclobutane-1-carboxamide?
3-[(2S)-2-methyl-4-[2-(trifluoromethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-[5-[2-(propoxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclobutane-1-carboxamide has a molecular weight of 636.68 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-methyl-4-[2-(trifluoromethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-[5-[2-(propoxymethyl)pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 171034535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).