5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide

C22H19F3N6O3 — CID 122638474

IUPAC5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1cn(C2CC(OCC(F)(F)F)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1
InChIInChI=1S/C22H19F3N6O3/c23-22(24,25)12-33-15-7-14(8-15)31-11-17(20(30-31)16-3-1-2-6-26-16)29-21(32)19-5-4-18(34-19)13-9-27-28-10-13/h1-6,9-11,14-15H,7-8,12H2,(H,27,28)(H,29,32)
InChIKeyAPXMGSYFAGPHOY-UHFFFAOYSA-N
MW472.43 g/mol
LogP4.46
Rot. Bonds7

About 5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide

5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide (PubChem CID 122638474) has the molecular formula C22H19F3N6O3 and a molecular weight of 472.43 g/mol. Its IUPAC name is 5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide
PubChem CID122638474
Molecular FormulaC22H19F3N6O3
Molecular Weight472.43 g/mol
Exact Mass472.15
IUPAC Name5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1cn(C2CC(OCC(F)(F)F)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1
InChIInChI=1S/C22H19F3N6O3/c23-22(24,25)12-33-15-7-14(8-15)31-11-17(20(30-31)16-3-1-2-6-26-16)29-21(32)19-5-4-18(34-19)13-9-27-28-10-13/h1-6,9-11,14-15H,7-8,12H2,(H,27,28)(H,29,32)
InChIKeyAPXMGSYFAGPHOY-UHFFFAOYSA-N
XLogP4.46
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.43
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide?
The IUPAC name of 5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide (CID 122638474) is 5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide is O=C(Nc1cn(C2CC(OCC(F)(F)F)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.
What is the InChIKey of 5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide?
The InChIKey is APXMGSYFAGPHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O3/c23-22(24,25)12-33-15-7-14(8-15)31-11-17(20(30-31)16-3-1-2-6-26-16)29-21(32)19-5-4-18(34-19)13-9-27-28-10-13/h1-6,9-11,14-15H,7-8,12H2,(H,27,28)(H,29,32).
What are the key properties of 5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide?
5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 472.43 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 122638474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).