4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-[4-(3,3,3-trifluoro-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide

C26H28F3N9OS — CID 123950153

IUPAC4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-[4-(3,3,3-trifluoro-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
SMILESCC(Cn1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCCC3)cn2)cs1)C(F)(F)F
InChIInChI=1S/C26H28F3N9OS/c1-16(26(27,28)29)11-38-15-32-35-23(38)25-34-22(13-40-25)33-24(39)18-9-20(37-12-19(31-14-37)17-5-6-17)21(10-30-18)36-7-3-2-4-8-36/h9-10,12-17H,2-8,11H2,1H3,(H,33,39)
InChIKeyQRFUFVHSRZTMND-UHFFFAOYSA-N
MW571.63 g/mol
LogP5.30
Rot. Bonds8

About 4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-[4-(3,3,3-trifluoro-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide

4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-[4-(3,3,3-trifluoro-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide (PubChem CID 123950153) has the molecular formula C26H28F3N9OS and a molecular weight of 571.63 g/mol. Its IUPAC name is 4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-[4-(3,3,3-trifluoro-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-[4-(3,3,3-trifluoro-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
PubChem CID123950153
Molecular FormulaC26H28F3N9OS
Molecular Weight571.63 g/mol
Exact Mass571.21
IUPAC Name4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-[4-(3,3,3-trifluoro-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
SMILESCC(Cn1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCCC3)cn2)cs1)C(F)(F)F
InChIInChI=1S/C26H28F3N9OS/c1-16(26(27,28)29)11-38-15-32-35-23(38)25-34-22(13-40-25)33-24(39)18-9-20(37-12-19(31-14-37)17-5-6-17)21(10-30-18)36-7-3-2-4-8-36/h9-10,12-17H,2-8,11H2,1H3,(H,33,39)
InChIKeyQRFUFVHSRZTMND-UHFFFAOYSA-N
XLogP5.30
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.63
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-[4-(3,3,3-trifluoro-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-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-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-[4-(3,3,3-trifluoro-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-[4-(3,3,3-trifluoro-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide (CID 123950153) is 4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-[4-(3,3,3-trifluoro-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-[4-(3,3,3-trifluoro-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-[4-(3,3,3-trifluoro-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide is CC(Cn1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCCC3)cn2)cs1)C(F)(F)F.
What is the InChIKey of 4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-[4-(3,3,3-trifluoro-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The InChIKey is QRFUFVHSRZTMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N9OS/c1-16(26(27,28)29)11-38-15-32-35-23(38)25-34-22(13-40-25)33-24(39)18-9-20(37-12-19(31-14-37)17-5-6-17)21(10-30-18)36-7-3-2-4-8-36/h9-10,12-17H,2-8,11H2,1H3,(H,33,39).
What are the key properties of 4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-[4-(3,3,3-trifluoro-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-[4-(3,3,3-trifluoro-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide has a molecular weight of 571.63 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-[4-(3,3,3-trifluoro-2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 123950153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).