N-[1-(6-chloro-7-methylpyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide

C19H15ClF3N5O2 — CID 66621055

IUPACN-[1-(6-chloro-7-methylpyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
SMILESCc1c(Cl)cnc2cn(CC(C)(C#N)NC(=O)c3ccc(OC(F)(F)F)cc3)nc12
InChIInChI=1S/C19H15ClF3N5O2/c1-11-14(20)7-25-15-8-28(27-16(11)15)10-18(2,9-24)26-17(29)12-3-5-13(6-4-12)30-19(21,22)23/h3-8H,10H2,1-2H3,(H,26,29)
InChIKeyUMUJUHNLJCITCA-UHFFFAOYSA-N
MW437.81 g/mol
LogP4.00
Rot. Bonds5

About N-[1-(6-chloro-7-methylpyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide

N-[1-(6-chloro-7-methylpyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 66621055) has the molecular formula C19H15ClF3N5O2 and a molecular weight of 437.81 g/mol. Its IUPAC name is N-[1-(6-chloro-7-methylpyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(6-chloro-7-methylpyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
PubChem CID66621055
Molecular FormulaC19H15ClF3N5O2
Molecular Weight437.81 g/mol
Exact Mass437.09
IUPAC NameN-[1-(6-chloro-7-methylpyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
SMILESCc1c(Cl)cnc2cn(CC(C)(C#N)NC(=O)c3ccc(OC(F)(F)F)cc3)nc12
InChIInChI=1S/C19H15ClF3N5O2/c1-11-14(20)7-25-15-8-28(27-16(11)15)10-18(2,9-24)26-17(29)12-3-5-13(6-4-12)30-19(21,22)23/h3-8H,10H2,1-2H3,(H,26,29)
InChIKeyUMUJUHNLJCITCA-UHFFFAOYSA-N
XLogP4.00
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.81
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-cyano-1-(5,7-dichloroindazol-2-yl)propan-2-yl]-4-(trifluoromethoxy)benzamide
CID 66620904
N-[(2S)-1-(6-bromopyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide;N-[(2R)-1-(6-bromopyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
CID 159425451
N-[(2S)-1-(6-bromopyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
CID 59327627
N-[2-cyano-1-(4,6-dichlorobenzotriazol-2-yl)propan-2-yl]-4-(trifluoromethoxy)benzamide
CID 25122294
N-[1-(6-chloro-3-propoxyindazol-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
CID 66620737
N-[1-(2-chloro-5-fluorophenoxy)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
CID 24808425
N-[2-cyano-1-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-yl]-4-(trifluoromethoxy)benzamide
CID 10161424
N-[2-cyano-1-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propan-2-yl]-4-(trifluoromethoxy)benzamide
CID 10227147
N-[(2R)-1-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]-5-cyanophenoxy]-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
CID 88879523
N-[1-(2-bromo-4-cyanophenoxy)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
CID 11784618
N-[2-cyano-1-(4,6-dibromo-4-fluoro-1H-benzotriazol-2-yl)propan-2-yl]-4-(trifluoromethoxy)benzamide
CID 142789553
N-(1-bromo-2-methylpropan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116629348

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-7-methylpyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[1-(6-chloro-7-methylpyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide (CID 66621055) is N-[1-(6-chloro-7-methylpyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[1-(6-chloro-7-methylpyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[1-(6-chloro-7-methylpyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide is Cc1c(Cl)cnc2cn(CC(C)(C#N)NC(=O)c3ccc(OC(F)(F)F)cc3)nc12.
What is the InChIKey of N-[1-(6-chloro-7-methylpyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is UMUJUHNLJCITCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N5O2/c1-11-14(20)7-25-15-8-28(27-16(11)15)10-18(2,9-24)26-17(29)12-3-5-13(6-4-12)30-19(21,22)23/h3-8H,10H2,1-2H3,(H,26,29).
What are the key properties of N-[1-(6-chloro-7-methylpyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide?
N-[1-(6-chloro-7-methylpyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 437.81 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-7-methylpyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 66621055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).