4-(4-cyclopropylimidazol-1-yl)-5-(dimethylamino)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide

C22H22F3N9OS — CID 90231977

IUPAC4-(4-cyclopropylimidazol-1-yl)-5-(dimethylamino)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
SMILESCC(n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N(C)C)cn2)cs1)C(F)(F)F
InChIInChI=1S/C22H22F3N9OS/c1-12(22(23,24)25)34-11-28-31-19(34)21-30-18(9-36-21)29-20(35)14-6-16(17(7-26-14)32(2)3)33-8-15(27-10-33)13-4-5-13/h6-13H,4-5H2,1-3H3,(H,29,35)
InChIKeyRLSCTEQIUJARIV-UHFFFAOYSA-N
MW517.54 g/mol
LogP4.30
Rot. Bonds7

About 4-(4-cyclopropylimidazol-1-yl)-5-(dimethylamino)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide

4-(4-cyclopropylimidazol-1-yl)-5-(dimethylamino)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide (PubChem CID 90231977) has the molecular formula C22H22F3N9OS and a molecular weight of 517.54 g/mol. Its IUPAC name is 4-(4-cyclopropylimidazol-1-yl)-5-(dimethylamino)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-cyclopropylimidazol-1-yl)-5-(dimethylamino)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
PubChem CID90231977
Molecular FormulaC22H22F3N9OS
Molecular Weight517.54 g/mol
Exact Mass517.16
IUPAC Name4-(4-cyclopropylimidazol-1-yl)-5-(dimethylamino)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
SMILESCC(n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N(C)C)cn2)cs1)C(F)(F)F
InChIInChI=1S/C22H22F3N9OS/c1-12(22(23,24)25)34-11-28-31-19(34)21-30-18(9-36-21)29-20(35)14-6-16(17(7-26-14)32(2)3)33-8-15(27-10-33)13-4-5-13/h6-13H,4-5H2,1-3H3,(H,29,35)
InChIKeyRLSCTEQIUJARIV-UHFFFAOYSA-N
XLogP4.30
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.54
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-(4-cyclopropylimidazol-1-yl)-5-(dimethylamino)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-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-(dimethylamino)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-5-(dimethylamino)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide (CID 90231977) is 4-(4-cyclopropylimidazol-1-yl)-5-(dimethylamino)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-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-(dimethylamino)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-cyclopropylimidazol-1-yl)-5-(dimethylamino)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide is CC(n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N(C)C)cn2)cs1)C(F)(F)F.
What is the InChIKey of 4-(4-cyclopropylimidazol-1-yl)-5-(dimethylamino)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The InChIKey is RLSCTEQIUJARIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N9OS/c1-12(22(23,24)25)34-11-28-31-19(34)21-30-18(9-36-21)29-20(35)14-6-16(17(7-26-14)32(2)3)33-8-15(27-10-33)13-4-5-13/h6-13H,4-5H2,1-3H3,(H,29,35).
What are the key properties of 4-(4-cyclopropylimidazol-1-yl)-5-(dimethylamino)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
4-(4-cyclopropylimidazol-1-yl)-5-(dimethylamino)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide has a molecular weight of 517.54 g/mol, XLogP of 4.30, 7 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-(dimethylamino)-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 90231977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).