1-[(3-cyanopyrazolo[1,5-a]pyridin-5-yl)methyl]-1-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]urea

C20H18F3N5O2 — CID 170752849

IUPAC1-[(3-cyanopyrazolo[1,5-a]pyridin-5-yl)methyl]-1-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCC(C)N(Cc1ccn2ncc(C#N)c2c1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H18F3N5O2/c1-13(2)27(12-14-7-8-28-18(9-14)15(10-24)11-25-28)19(29)26-16-3-5-17(6-4-16)30-20(21,22)23/h3-9,11,13H,12H2,1-2H3,(H,26,29)
InChIKeyMEPRGTAFXCZPNA-UHFFFAOYSA-N
MW417.39 g/mol
LogP4.55
Rot. Bonds5

About 1-[(3-cyanopyrazolo[1,5-a]pyridin-5-yl)methyl]-1-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]urea

1-[(3-cyanopyrazolo[1,5-a]pyridin-5-yl)methyl]-1-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 170752849) has the molecular formula C20H18F3N5O2 and a molecular weight of 417.39 g/mol. Its IUPAC name is 1-[(3-cyanopyrazolo[1,5-a]pyridin-5-yl)methyl]-1-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(3-cyanopyrazolo[1,5-a]pyridin-5-yl)methyl]-1-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID170752849
Molecular FormulaC20H18F3N5O2
Molecular Weight417.39 g/mol
Exact Mass417.14
IUPAC Name1-[(3-cyanopyrazolo[1,5-a]pyridin-5-yl)methyl]-1-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCC(C)N(Cc1ccn2ncc(C#N)c2c1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H18F3N5O2/c1-13(2)27(12-14-7-8-28-18(9-14)15(10-24)11-25-28)19(29)26-16-3-5-17(6-4-16)30-20(21,22)23/h3-9,11,13H,12H2,1-2H3,(H,26,29)
InChIKeyMEPRGTAFXCZPNA-UHFFFAOYSA-N
XLogP4.55
TPSA82.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyanopyrazolo[1,5-a]pyridin-5-yl)methyl]-1-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[(3-cyanopyrazolo[1,5-a]pyridin-5-yl)methyl]-1-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]urea (CID 170752849) is 1-[(3-cyanopyrazolo[1,5-a]pyridin-5-yl)methyl]-1-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[(3-cyanopyrazolo[1,5-a]pyridin-5-yl)methyl]-1-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[(3-cyanopyrazolo[1,5-a]pyridin-5-yl)methyl]-1-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]urea is CC(C)N(Cc1ccn2ncc(C#N)c2c1)C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-[(3-cyanopyrazolo[1,5-a]pyridin-5-yl)methyl]-1-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is MEPRGTAFXCZPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O2/c1-13(2)27(12-14-7-8-28-18(9-14)15(10-24)11-25-28)19(29)26-16-3-5-17(6-4-16)30-20(21,22)23/h3-9,11,13H,12H2,1-2H3,(H,26,29).
What are the key properties of 1-[(3-cyanopyrazolo[1,5-a]pyridin-5-yl)methyl]-1-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]urea?
1-[(3-cyanopyrazolo[1,5-a]pyridin-5-yl)methyl]-1-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 417.39 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyanopyrazolo[1,5-a]pyridin-5-yl)methyl]-1-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 170752849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).