1-cyclohexyl-1-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea

C22H23F3N4O2 — CID 170752800

IUPAC1-cyclohexyl-1-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N(Cc1ccn2nccc2c1)C1CCCCC1
InChIInChI=1S/C22H23F3N4O2/c23-22(24,25)31-20-8-6-17(7-9-20)27-21(30)28(18-4-2-1-3-5-18)15-16-11-13-29-19(14-16)10-12-26-29/h6-14,18H,1-5,15H2,(H,27,30)
InChIKeyIGKNNSUIBLIDGJ-UHFFFAOYSA-N
MW432.45 g/mol
LogP5.60
Rot. Bonds5

About 1-cyclohexyl-1-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea

1-cyclohexyl-1-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 170752800) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is 1-cyclohexyl-1-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-1-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID170752800
Molecular FormulaC22H23F3N4O2
Molecular Weight432.45 g/mol
Exact Mass432.18
IUPAC Name1-cyclohexyl-1-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N(Cc1ccn2nccc2c1)C1CCCCC1
InChIInChI=1S/C22H23F3N4O2/c23-22(24,25)31-20-8-6-17(7-9-20)27-21(30)28(18-4-2-1-3-5-18)15-16-11-13-29-19(14-16)10-12-26-29/h6-14,18H,1-5,15H2,(H,27,30)
InChIKeyIGKNNSUIBLIDGJ-UHFFFAOYSA-N
XLogP5.60
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.45
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 11317069
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CID 11374063
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CID 11408441
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CID 16005795
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CID 20791410
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CID 22179477

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-cyclohexyl-1-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea (CID 170752800) is 1-cyclohexyl-1-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-1-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-cyclohexyl-1-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea is O=C(Nc1ccc(OC(F)(F)F)cc1)N(Cc1ccn2nccc2c1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is IGKNNSUIBLIDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c23-22(24,25)31-20-8-6-17(7-9-20)27-21(30)28(18-4-2-1-3-5-18)15-16-11-13-29-19(14-16)10-12-26-29/h6-14,18H,1-5,15H2,(H,27,30).
What are the key properties of 1-cyclohexyl-1-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea?
1-cyclohexyl-1-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 432.45 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 170752800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).