N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide

C27H25F3N4O3 — CID 129032608

IUPACN-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
SMILESCc1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3NC(=O)c3ccc(-c4ccncc4)o3)CC2)o1
InChIInChI=1S/C27H25F3N4O3/c1-18-2-4-21(36-18)17-33-12-14-34(15-13-33)23-5-3-20(27(28,29)30)16-22(23)32-26(35)25-7-6-24(37-25)19-8-10-31-11-9-19/h2-11,16H,12-15,17H2,1H3,(H,32,35)
InChIKeyPVNFHDUJWZPDNI-UHFFFAOYSA-N
MW510.52 g/mol
LogP5.84
Rot. Bonds6

About N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide

N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide (PubChem CID 129032608) has the molecular formula C27H25F3N4O3 and a molecular weight of 510.52 g/mol. Its IUPAC name is N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
PubChem CID129032608
Molecular FormulaC27H25F3N4O3
Molecular Weight510.52 g/mol
Exact Mass510.19
IUPAC NameN-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
SMILESCc1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3NC(=O)c3ccc(-c4ccncc4)o3)CC2)o1
InChIInChI=1S/C27H25F3N4O3/c1-18-2-4-21(36-18)17-33-12-14-34(15-13-33)23-5-3-20(27(28,29)30)16-22(23)32-26(35)25-7-6-24(37-25)19-8-10-31-11-9-19/h2-11,16H,12-15,17H2,1H3,(H,32,35)
InChIKeyPVNFHDUJWZPDNI-UHFFFAOYSA-N
XLogP5.84
TPSA74.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.52
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
The IUPAC name of N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide (CID 129032608) is N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
The canonical SMILES for N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide is Cc1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3NC(=O)c3ccc(-c4ccncc4)o3)CC2)o1.
What is the InChIKey of N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
The InChIKey is PVNFHDUJWZPDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O3/c1-18-2-4-21(36-18)17-33-12-14-34(15-13-33)23-5-3-20(27(28,29)30)16-22(23)32-26(35)25-7-6-24(37-25)19-8-10-31-11-9-19/h2-11,16H,12-15,17H2,1H3,(H,32,35).
What are the key properties of N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide has a molecular weight of 510.52 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 129032608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).