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

C22H19F3N6O3 — CID 175188686

IUPACN-[5-(1H-pyrazol-4-yl)-3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1c(-c2ccccn2)nn(C2CC(OCC(F)(F)F)C2)c1-c1cn[nH]c1)c1ccco1
InChIInChI=1S/C22H19F3N6O3/c23-22(24,25)12-34-15-8-14(9-15)31-20(13-10-27-28-11-13)19(29-21(32)17-5-3-7-33-17)18(30-31)16-4-1-2-6-26-16/h1-7,10-11,14-15H,8-9,12H2,(H,27,28)(H,29,32)
InChIKeyGYEIVWZCKSSUMR-UHFFFAOYSA-N
MW472.43 g/mol
LogP4.46
Rot. Bonds7

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

N-[5-(1H-pyrazol-4-yl)-3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide (PubChem CID 175188686) has the molecular formula C22H19F3N6O3 and a molecular weight of 472.43 g/mol. Its IUPAC name is N-[5-(1H-pyrazol-4-yl)-3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1H-pyrazol-4-yl)-3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide
PubChem CID175188686
Molecular FormulaC22H19F3N6O3
Molecular Weight472.43 g/mol
Exact Mass472.15
IUPAC NameN-[5-(1H-pyrazol-4-yl)-3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1c(-c2ccccn2)nn(C2CC(OCC(F)(F)F)C2)c1-c1cn[nH]c1)c1ccco1
InChIInChI=1S/C22H19F3N6O3/c23-22(24,25)12-34-15-8-14(9-15)31-20(13-10-27-28-11-13)19(29-21(32)17-5-3-7-33-17)18(30-31)16-4-1-2-6-26-16/h1-7,10-11,14-15H,8-9,12H2,(H,27,28)(H,29,32)
InChIKeyGYEIVWZCKSSUMR-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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Related Compounds

3-Tert-butyl-5-[6-(furan-2-yl)-3-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365842
N-[2-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 129032631
ALP-POS-b0bc6a46-16
CID 156906944
5-[(3,5-Dimethyl-1H-pyrazol-4-YL)methyl]-N-{[2-(2-methoxyethyl)-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazin-3-YL]methyl}furan-2-carboxamide
CID 91909694
5-[(3,5-Dimethyl-1H-pyrazol-4-YL)methyl]-N-({2-methyl-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazin-3-YL}methyl)furan-2-carboxamide
CID 91909799
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine
CID 46990476
3-(2-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 74243157
N-{2-[3-(pyrazin-2-yl)-1H-pyrazol-1-yl]ethyl}furan-2-carboxamide
CID 119102664
[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone
CID 22953891
N-[7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazol-5-yl]furan-2-carboxamide
CID 59797084
3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-c]pyridine-5-carboxamide
CID 59797397
Furan-2-carboxylic Acid [7-fluoro-3-(2-pyridin-3-yl-vinyl)-1H-indazol-5-yl]-amide
CID 69286898

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-pyrazol-4-yl)-3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(1H-pyrazol-4-yl)-3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide (CID 175188686) is N-[5-(1H-pyrazol-4-yl)-3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(1H-pyrazol-4-yl)-3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(1H-pyrazol-4-yl)-3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide is O=C(Nc1c(-c2ccccn2)nn(C2CC(OCC(F)(F)F)C2)c1-c1cn[nH]c1)c1ccco1.
What is the InChIKey of N-[5-(1H-pyrazol-4-yl)-3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide?
The InChIKey is GYEIVWZCKSSUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O3/c23-22(24,25)12-34-15-8-14(9-15)31-20(13-10-27-28-11-13)19(29-21(32)17-5-3-7-33-17)18(30-31)16-4-1-2-6-26-16/h1-7,10-11,14-15H,8-9,12H2,(H,27,28)(H,29,32).
What are the key properties of N-[5-(1H-pyrazol-4-yl)-3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide?
N-[5-(1H-pyrazol-4-yl)-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 N-[5-(1H-pyrazol-4-yl)-3-pyridin-2-yl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 175188686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).