4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide

C23H20F3N7O — CID 58102935

IUPAC4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide
SMILESC[C@H](n1cnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)ccn2)c1)C(F)(F)F
InChIInChI=1S/C23H20F3N7O/c1-14(23(24,25)26)33-13-29-31-21(33)16-3-2-4-17(9-16)30-22(34)19-10-18(7-8-27-19)32-11-20(28-12-32)15-5-6-15/h2-4,7-15H,5-6H2,1H3,(H,30,34)/t14-/m0/s1
InChIKeyCWZONKSGCPUCFJ-AWEZNQCLSA-N
MW467.46 g/mol
LogP4.78
Rot. Bonds6

About 4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide

4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide (PubChem CID 58102935) has the molecular formula C23H20F3N7O and a molecular weight of 467.46 g/mol. Its IUPAC name is 4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide
PubChem CID58102935
Molecular FormulaC23H20F3N7O
Molecular Weight467.46 g/mol
Exact Mass467.17
IUPAC Name4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide
SMILESC[C@H](n1cnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)ccn2)c1)C(F)(F)F
InChIInChI=1S/C23H20F3N7O/c1-14(23(24,25)26)33-13-29-31-21(33)16-3-2-4-17(9-16)30-22(34)19-10-18(7-8-27-19)32-11-20(28-12-32)15-5-6-15/h2-4,7-15H,5-6H2,1H3,(H,30,34)/t14-/m0/s1
InChIKeyCWZONKSGCPUCFJ-AWEZNQCLSA-N
XLogP4.78
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide (CID 58102935) is 4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide is C[C@H](n1cnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)ccn2)c1)C(F)(F)F.
What is the InChIKey of 4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is CWZONKSGCPUCFJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H20F3N7O/c1-14(23(24,25)26)33-13-29-31-21(33)16-3-2-4-17(9-16)30-22(34)19-10-18(7-8-27-19)32-11-20(28-12-32)15-5-6-15/h2-4,7-15H,5-6H2,1H3,(H,30,34)/t14-/m0/s1.
What are the key properties of 4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide?
4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 467.46 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 58102935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).