3-[5-[[(2R)-1-[(3S)-3-cyclopropylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one

C18H20F3N5O3 — CID 174253316

IUPAC3-[5-[[(2R)-1-[(3S)-3-cyclopropylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESC[C@@H](Nc1nnc(-c2ccc(C(F)(F)F)[nH]c2=O)o1)C(=O)N1CC[C@@H](C2CC2)C1
InChIInChI=1S/C18H20F3N5O3/c1-9(16(28)26-7-6-11(8-26)10-2-3-10)22-17-25-24-15(29-17)12-4-5-13(18(19,20)21)23-14(12)27/h4-5,9-11H,2-3,6-8H2,1H3,(H,22,25)(H,23,27)/t9-,11-/m1/s1
InChIKeyMTWPWQOGPZCXNZ-MWLCHTKSSA-N
MW411.38 g/mol
LogP2.50
Rot. Bonds5

About 3-[5-[[(2R)-1-[(3S)-3-cyclopropylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one

3-[5-[[(2R)-1-[(3S)-3-cyclopropylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 174253316) has the molecular formula C18H20F3N5O3 and a molecular weight of 411.38 g/mol. Its IUPAC name is 3-[5-[[(2R)-1-[(3S)-3-cyclopropylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[5-[[(2R)-1-[(3S)-3-cyclopropylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID174253316
Molecular FormulaC18H20F3N5O3
Molecular Weight411.38 g/mol
Exact Mass411.15
IUPAC Name3-[5-[[(2R)-1-[(3S)-3-cyclopropylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESC[C@@H](Nc1nnc(-c2ccc(C(F)(F)F)[nH]c2=O)o1)C(=O)N1CC[C@@H](C2CC2)C1
InChIInChI=1S/C18H20F3N5O3/c1-9(16(28)26-7-6-11(8-26)10-2-3-10)22-17-25-24-15(29-17)12-4-5-13(18(19,20)21)23-14(12)27/h4-5,9-11H,2-3,6-8H2,1H3,(H,22,25)(H,23,27)/t9-,11-/m1/s1
InChIKeyMTWPWQOGPZCXNZ-MWLCHTKSSA-N
XLogP2.50
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[5-[[(2R)-1-[(3S)-3-cyclopropylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[[(2R)-1-[(3S)-3-cyclopropylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-[5-[[(2R)-1-[(3S)-3-cyclopropylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one (CID 174253316) is 3-[5-[[(2R)-1-[(3S)-3-cyclopropylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[5-[[(2R)-1-[(3S)-3-cyclopropylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[5-[[(2R)-1-[(3S)-3-cyclopropylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one is C[C@@H](Nc1nnc(-c2ccc(C(F)(F)F)[nH]c2=O)o1)C(=O)N1CC[C@@H](C2CC2)C1.
What is the InChIKey of 3-[5-[[(2R)-1-[(3S)-3-cyclopropylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is MTWPWQOGPZCXNZ-MWLCHTKSSA-N. The full InChI is InChI=1S/C18H20F3N5O3/c1-9(16(28)26-7-6-11(8-26)10-2-3-10)22-17-25-24-15(29-17)12-4-5-13(18(19,20)21)23-14(12)27/h4-5,9-11H,2-3,6-8H2,1H3,(H,22,25)(H,23,27)/t9-,11-/m1/s1.
What are the key properties of 3-[5-[[(2R)-1-[(3S)-3-cyclopropylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one?
3-[5-[[(2R)-1-[(3S)-3-cyclopropylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 411.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[(2R)-1-[(3S)-3-cyclopropylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 174253316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).