3-indazol-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide

C20H21F3N6O — CID 175919109

IUPAC3-indazol-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide
SMILESO=C(CCn1cc2ccccc2n1)NC1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H21F3N6O/c21-20(22,23)15-11-24-19(25-12-15)28-8-5-16(6-9-28)26-18(30)7-10-29-13-14-3-1-2-4-17(14)27-29/h1-4,11-13,16H,5-10H2,(H,26,30)
InChIKeyCDXUVYIBINKRDT-UHFFFAOYSA-N
MW418.42 g/mol
LogP3.02
Rot. Bonds5

About 3-indazol-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide

3-indazol-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide (PubChem CID 175919109) has the molecular formula C20H21F3N6O and a molecular weight of 418.42 g/mol. Its IUPAC name is 3-indazol-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-indazol-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide
PubChem CID175919109
Molecular FormulaC20H21F3N6O
Molecular Weight418.42 g/mol
Exact Mass418.17
IUPAC Name3-indazol-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide
SMILESO=C(CCn1cc2ccccc2n1)NC1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H21F3N6O/c21-20(22,23)15-11-24-19(25-12-15)28-8-5-16(6-9-28)26-18(30)7-10-29-13-14-3-1-2-4-17(14)27-29/h1-4,11-13,16H,5-10H2,(H,26,30)
InChIKeyCDXUVYIBINKRDT-UHFFFAOYSA-N
XLogP3.02
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-phenylpiperazin-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanamide
CID 58577214
2-[2-(1-oxo-2H-phthalazin-5-yl)ethoxy]-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide
CID 165392919
2-(benzotriazol-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142854
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
CID 46485770
4-(1,3-dioxoisoindol-2-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]butanamide
CID 121142788
N-cyclopentyl-2-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]acetamide
CID 171994814
2-naphthalen-2-yloxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142759
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 47035375
3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142589
N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 55705190
1-[3-(cyclopropylamino)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622515
2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431381

Frequently Asked Questions

What is the IUPAC name of 3-indazol-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide?
The IUPAC name of 3-indazol-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide (CID 175919109) is 3-indazol-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-indazol-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-indazol-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide is O=C(CCn1cc2ccccc2n1)NC1CCN(c2ncc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 3-indazol-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide?
The InChIKey is CDXUVYIBINKRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O/c21-20(22,23)15-11-24-19(25-12-15)28-8-5-16(6-9-28)26-18(30)7-10-29-13-14-3-1-2-4-17(14)27-29/h1-4,11-13,16H,5-10H2,(H,26,30).
What are the key properties of 3-indazol-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide?
3-indazol-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide has a molecular weight of 418.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indazol-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 175919109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).