N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide

C23H21F3N6O3 — CID 122638571

IUPACN-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
SMILESCCOC1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3cccc(C(F)(F)F)n3)n2)C1
InChIInChI=1S/C23H21F3N6O3/c1-2-34-15-8-14(9-15)32-12-17(21(31-32)16-4-3-5-20(29-16)23(24,25)26)30-22(33)19-7-6-18(35-19)13-10-27-28-11-13/h3-7,10-12,14-15H,2,8-9H2,1H3,(H,27,28)(H,30,33)
InChIKeyIKTCEHTXRCTVRA-UHFFFAOYSA-N
MW486.45 g/mol
LogP4.94
Rot. Bonds7

About N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide

N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide (PubChem CID 122638571) has the molecular formula C23H21F3N6O3 and a molecular weight of 486.45 g/mol. Its IUPAC name is N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
PubChem CID122638571
Molecular FormulaC23H21F3N6O3
Molecular Weight486.45 g/mol
Exact Mass486.16
IUPAC NameN-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
SMILESCCOC1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3cccc(C(F)(F)F)n3)n2)C1
InChIInChI=1S/C23H21F3N6O3/c1-2-34-15-8-14(9-15)32-12-17(21(31-32)16-4-3-5-20(29-16)23(24,25)26)30-22(33)19-7-6-18(35-19)13-10-27-28-11-13/h3-7,10-12,14-15H,2,8-9H2,1H3,(H,27,28)(H,30,33)
InChIKeyIKTCEHTXRCTVRA-UHFFFAOYSA-N
XLogP4.94
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.45
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The IUPAC name of N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide (CID 122638571) is N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The canonical SMILES for N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide is CCOC1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3cccc(C(F)(F)F)n3)n2)C1.
What is the InChIKey of N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The InChIKey is IKTCEHTXRCTVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O3/c1-2-34-15-8-14(9-15)32-12-17(21(31-32)16-4-3-5-20(29-16)23(24,25)26)30-22(33)19-7-6-18(35-19)13-10-27-28-11-13/h3-7,10-12,14-15H,2,8-9H2,1H3,(H,27,28)(H,30,33).
What are the key properties of N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide has a molecular weight of 486.45 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 122638571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).