N-[2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide

C25H23F3N6O2 — CID 129032640

IUPACN-[2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cnc[nH]2)CC1)c1ccc(-c2ccncc2)o1
InChIInChI=1S/C25H23F3N6O2/c26-25(27,28)18-1-2-21(34-11-9-33(10-12-34)15-19-14-30-16-31-19)20(13-18)32-24(35)23-4-3-22(36-23)17-5-7-29-8-6-17/h1-8,13-14,16H,9-12,15H2,(H,30,31)(H,32,35)
InChIKeyVRIAVEJFZFDYRL-UHFFFAOYSA-N
MW496.49 g/mol
LogP4.66
Rot. Bonds6

About N-[2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide

N-[2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide (PubChem CID 129032640) has the molecular formula C25H23F3N6O2 and a molecular weight of 496.49 g/mol. Its IUPAC name is N-[2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
PubChem CID129032640
Molecular FormulaC25H23F3N6O2
Molecular Weight496.49 g/mol
Exact Mass496.18
IUPAC NameN-[2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cnc[nH]2)CC1)c1ccc(-c2ccncc2)o1
InChIInChI=1S/C25H23F3N6O2/c26-25(27,28)18-1-2-21(34-11-9-33(10-12-34)15-19-14-30-16-31-19)20(13-18)32-24(35)23-4-3-22(36-23)17-5-7-29-8-6-17/h1-8,13-14,16H,9-12,15H2,(H,30,31)(H,32,35)
InChIKeyVRIAVEJFZFDYRL-UHFFFAOYSA-N
XLogP4.66
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.49
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
The IUPAC name of N-[2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide (CID 129032640) is N-[2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
The canonical SMILES for N-[2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cnc[nH]2)CC1)c1ccc(-c2ccncc2)o1.
What is the InChIKey of N-[2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
The InChIKey is VRIAVEJFZFDYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O2/c26-25(27,28)18-1-2-21(34-11-9-33(10-12-34)15-19-14-30-16-31-19)20(13-18)32-24(35)23-4-3-22(36-23)17-5-7-29-8-6-17/h1-8,13-14,16H,9-12,15H2,(H,30,31)(H,32,35).
What are the key properties of N-[2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
N-[2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide has a molecular weight of 496.49 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 129032640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).