6-(2-oxopyrrolidin-3-yl)oxy-2-[(1S,5R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrimidine-4-carboxamide

C22H23F3N6O4 — CID 118647320

IUPAC6-(2-oxopyrrolidin-3-yl)oxy-2-[(1S,5R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(OC2CCNC2=O)nc(N2[C@@H]3CC[C@H]2CC(Oc2ccc(C(F)(F)F)cn2)C3)n1
InChIInChI=1S/C22H23F3N6O4/c23-22(24,25)11-1-4-17(28-10-11)34-14-7-12-2-3-13(8-14)31(12)21-29-15(19(26)32)9-18(30-21)35-16-5-6-27-20(16)33/h1,4,9-10,12-14,16H,2-3,5-8H2,(H2,26,32)(H,27,33)/t12-,13+,14?,16?
InChIKeyZPHKGLZJVRWHSZ-KKNUOHPOSA-N
MW492.46 g/mol
LogP1.84
Rot. Bonds6

About 6-(2-oxopyrrolidin-3-yl)oxy-2-[(1S,5R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrimidine-4-carboxamide

6-(2-oxopyrrolidin-3-yl)oxy-2-[(1S,5R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrimidine-4-carboxamide (PubChem CID 118647320) has the molecular formula C22H23F3N6O4 and a molecular weight of 492.46 g/mol. Its IUPAC name is 6-(2-oxopyrrolidin-3-yl)oxy-2-[(1S,5R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-oxopyrrolidin-3-yl)oxy-2-[(1S,5R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrimidine-4-carboxamide
PubChem CID118647320
Molecular FormulaC22H23F3N6O4
Molecular Weight492.46 g/mol
Exact Mass492.17
IUPAC Name6-(2-oxopyrrolidin-3-yl)oxy-2-[(1S,5R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(OC2CCNC2=O)nc(N2[C@@H]3CC[C@H]2CC(Oc2ccc(C(F)(F)F)cn2)C3)n1
InChIInChI=1S/C22H23F3N6O4/c23-22(24,25)11-1-4-17(28-10-11)34-14-7-12-2-3-13(8-14)31(12)21-29-15(19(26)32)9-18(30-21)35-16-5-6-27-20(16)33/h1,4,9-10,12-14,16H,2-3,5-8H2,(H2,26,32)(H,27,33)/t12-,13+,14?,16?
InChIKeyZPHKGLZJVRWHSZ-KKNUOHPOSA-N
XLogP1.84
TPSA132.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.46
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(2-oxopyrrolidin-3-yl)oxy-2-[(1S,5R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrimidine-4-carboxamide with MolForge

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Related Compounds

6-[(2-oxopyrrolidin-3-yl)amino]-2-[3-[2-pyridin-3-yl-4-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrimidine-4-carboxamide
CID 90390080
2-[(1S,5R)-3-[[2-cyano-4-(trifluoromethyl)phenoxy]methyl]-8-azabicyclo[3.2.1]octan-8-yl]-6-[[(3S)-2-oxopyrrolidin-3-yl]amino]pyrimidine-4-carboxamide
CID 129082105
6-(2-oxopyrrolidin-3-yl)oxy-2-[4-[2-(pyrrolidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide
CID 90390177
6-[2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide
CID 157277749
6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 133446274
5-(trifluoromethyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
CID 156814447
(1S,5R)-3-pyridin-2-yloxy-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 66927555
(3R)-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one
CID 118417694
6-[[[(3S)-2-oxopyrrolidin-3-yl]amino]methyl]-2-[4-[4-(trifluoromethyl)phenoxy]cyclohexen-1-yl]pyrimidine-4-carboxamide
CID 118182419
2-[4-[hydroxy-[5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]-6-[[(3S)-2-oxopyrrolidin-3-yl]amino]pyrimidine-4-carboxamide
CID 90390328
5-chloro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-3-carboxamide
CID 133446217
5-(aminomethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
CID 166683158

Frequently Asked Questions

What is the IUPAC name of 6-(2-oxopyrrolidin-3-yl)oxy-2-[(1S,5R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-oxopyrrolidin-3-yl)oxy-2-[(1S,5R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrimidine-4-carboxamide (CID 118647320) is 6-(2-oxopyrrolidin-3-yl)oxy-2-[(1S,5R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-oxopyrrolidin-3-yl)oxy-2-[(1S,5R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-oxopyrrolidin-3-yl)oxy-2-[(1S,5R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrimidine-4-carboxamide is NC(=O)c1cc(OC2CCNC2=O)nc(N2[C@@H]3CC[C@H]2CC(Oc2ccc(C(F)(F)F)cn2)C3)n1.
What is the InChIKey of 6-(2-oxopyrrolidin-3-yl)oxy-2-[(1S,5R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrimidine-4-carboxamide?
The InChIKey is ZPHKGLZJVRWHSZ-KKNUOHPOSA-N. The full InChI is InChI=1S/C22H23F3N6O4/c23-22(24,25)11-1-4-17(28-10-11)34-14-7-12-2-3-13(8-14)31(12)21-29-15(19(26)32)9-18(30-21)35-16-5-6-27-20(16)33/h1,4,9-10,12-14,16H,2-3,5-8H2,(H2,26,32)(H,27,33)/t12-,13+,14?,16?.
What are the key properties of 6-(2-oxopyrrolidin-3-yl)oxy-2-[(1S,5R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrimidine-4-carboxamide?
6-(2-oxopyrrolidin-3-yl)oxy-2-[(1S,5R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrimidine-4-carboxamide has a molecular weight of 492.46 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxopyrrolidin-3-yl)oxy-2-[(1S,5R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octan-8-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 118647320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).