4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-5H-imidazo[1,2-b]pyrazol-6-yl]benzonitrile

C18H11F3N6 — CID 123650242

IUPAC4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-5H-imidazo[1,2-b]pyrazol-6-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc3ncc(-c4cnc(N)c(C(F)(F)F)c4)n3[nH]2)cc1
InChIInChI=1S/C18H11F3N6/c19-18(20,21)13-5-12(8-25-17(13)23)15-9-24-16-6-14(26-27(15)16)11-3-1-10(7-22)2-4-11/h1-6,8-9,26H,(H2,23,25)
InChIKeyIYOAJAMUNFBDPZ-UHFFFAOYSA-N
MW368.32 g/mol
LogP3.86
Rot. Bonds2

About 4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-5H-imidazo[1,2-b]pyrazol-6-yl]benzonitrile

4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-5H-imidazo[1,2-b]pyrazol-6-yl]benzonitrile (PubChem CID 123650242) has the molecular formula C18H11F3N6 and a molecular weight of 368.32 g/mol. Its IUPAC name is 4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-5H-imidazo[1,2-b]pyrazol-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-5H-imidazo[1,2-b]pyrazol-6-yl]benzonitrile
PubChem CID123650242
Molecular FormulaC18H11F3N6
Molecular Weight368.32 g/mol
Exact Mass368.10
IUPAC Name4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-5H-imidazo[1,2-b]pyrazol-6-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc3ncc(-c4cnc(N)c(C(F)(F)F)c4)n3[nH]2)cc1
InChIInChI=1S/C18H11F3N6/c19-18(20,21)13-5-12(8-25-17(13)23)15-9-24-16-6-14(26-27(15)16)11-3-1-10(7-22)2-4-11/h1-6,8-9,26H,(H2,23,25)
InChIKeyIYOAJAMUNFBDPZ-UHFFFAOYSA-N
XLogP3.86
TPSA95.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-5H-imidazo[1,2-b]pyrazol-6-yl]benzonitrile?
The IUPAC name of 4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-5H-imidazo[1,2-b]pyrazol-6-yl]benzonitrile (CID 123650242) is 4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-5H-imidazo[1,2-b]pyrazol-6-yl]benzonitrile.
What is the SMILES notation for 4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-5H-imidazo[1,2-b]pyrazol-6-yl]benzonitrile?
The canonical SMILES for 4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-5H-imidazo[1,2-b]pyrazol-6-yl]benzonitrile is N#Cc1ccc(-c2cc3ncc(-c4cnc(N)c(C(F)(F)F)c4)n3[nH]2)cc1.
What is the InChIKey of 4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-5H-imidazo[1,2-b]pyrazol-6-yl]benzonitrile?
The InChIKey is IYOAJAMUNFBDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N6/c19-18(20,21)13-5-12(8-25-17(13)23)15-9-24-16-6-14(26-27(15)16)11-3-1-10(7-22)2-4-11/h1-6,8-9,26H,(H2,23,25).
What are the key properties of 4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-5H-imidazo[1,2-b]pyrazol-6-yl]benzonitrile?
4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-5H-imidazo[1,2-b]pyrazol-6-yl]benzonitrile has a molecular weight of 368.32 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-5H-imidazo[1,2-b]pyrazol-6-yl]benzonitrile is sourced from PubChem (CID 123650242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).