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

C21H18F3N7O2 — CID 122644463

IUPAC5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1cn(C2CN(CC(F)(F)F)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1
InChIInChI=1S/C21H18F3N7O2/c22-21(23,24)12-30-9-14(10-30)31-11-16(19(29-31)15-3-1-2-6-25-15)28-20(32)18-5-4-17(33-18)13-7-26-27-8-13/h1-8,11,14H,9-10,12H2,(H,26,27)(H,28,32)
InChIKeyMFBFLILRFIZDSA-UHFFFAOYSA-N
MW457.42 g/mol
LogP3.60
Rot. Bonds6

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

5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide (PubChem CID 122644463) has the molecular formula C21H18F3N7O2 and a molecular weight of 457.42 g/mol. Its IUPAC name is 5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide
PubChem CID122644463
Molecular FormulaC21H18F3N7O2
Molecular Weight457.42 g/mol
Exact Mass457.15
IUPAC Name5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1cn(C2CN(CC(F)(F)F)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1
InChIInChI=1S/C21H18F3N7O2/c22-21(23,24)12-30-9-14(10-30)31-11-16(19(29-31)15-3-1-2-6-25-15)28-20(32)18-5-4-17(33-18)13-7-26-27-8-13/h1-8,11,14H,9-10,12H2,(H,26,27)(H,28,32)
InChIKeyMFBFLILRFIZDSA-UHFFFAOYSA-N
XLogP3.60
TPSA104.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.42
LogP ≤ 53.60
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-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide?
The IUPAC name of 5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide (CID 122644463) is 5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide is O=C(Nc1cn(C2CN(CC(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-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide?
The InChIKey is MFBFLILRFIZDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N7O2/c22-21(23,24)12-30-9-14(10-30)31-11-16(19(29-31)15-3-1-2-6-25-15)28-20(32)18-5-4-17(33-18)13-7-26-27-8-13/h1-8,11,14H,9-10,12H2,(H,26,27)(H,28,32).
What are the key properties of 5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide?
5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 457.42 g/mol, XLogP of 3.60, 6 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-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 122644463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).