6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-pyrimidin-5-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]pyridine-3-carboxamide

C26H27F3N6O — CID 134288566

IUPAC6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-pyrimidin-5-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]pyridine-3-carboxamide
SMILESCN1CC2CN(c3ncc(C(=O)Nc4ccc(CCC(F)(F)F)cc4)cc3-c3cncnc3)CC2C1
InChIInChI=1S/C26H27F3N6O/c1-34-12-20-14-35(15-21(20)13-34)24-23(19-9-30-16-31-10-19)8-18(11-32-24)25(36)33-22-4-2-17(3-5-22)6-7-26(27,28)29/h2-5,8-11,16,20-21H,6-7,12-15H2,1H3,(H,33,36)
InChIKeyVQOUNAOUEAIZHE-UHFFFAOYSA-N
MW496.54 g/mol
LogP4.28
Rot. Bonds6

About 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-pyrimidin-5-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]pyridine-3-carboxamide

6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-pyrimidin-5-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]pyridine-3-carboxamide (PubChem CID 134288566) has the molecular formula C26H27F3N6O and a molecular weight of 496.54 g/mol. Its IUPAC name is 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-pyrimidin-5-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-pyrimidin-5-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]pyridine-3-carboxamide
PubChem CID134288566
Molecular FormulaC26H27F3N6O
Molecular Weight496.54 g/mol
Exact Mass496.22
IUPAC Name6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-pyrimidin-5-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]pyridine-3-carboxamide
SMILESCN1CC2CN(c3ncc(C(=O)Nc4ccc(CCC(F)(F)F)cc4)cc3-c3cncnc3)CC2C1
InChIInChI=1S/C26H27F3N6O/c1-34-12-20-14-35(15-21(20)13-34)24-23(19-9-30-16-31-10-19)8-18(11-32-24)25(36)33-22-4-2-17(3-5-22)6-7-26(27,28)29/h2-5,8-11,16,20-21H,6-7,12-15H2,1H3,(H,33,36)
InChIKeyVQOUNAOUEAIZHE-UHFFFAOYSA-N
XLogP4.28
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-pyrimidin-5-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-[(3R)-3,4-dihydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 154012609
6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118919180
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(1S,5R)-6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide
CID 177135457
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide
CID 118195232
6-(3-ethylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118919209
6-[(4S,5S)-5-amino-2-azabicyclo[2.1.1]hexan-2-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 134288252
6-[(3R)-3-aminopiperidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide
CID 118198920
6-[(3S)-3-cyanopiperidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118198919
N-(3,4-dichlorophenyl)-5-pyrimidin-5-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 174182369
5-(5-fluoro-3-pyridinyl)-6-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118919223
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide
CID 118198901
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 118919228

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-pyrimidin-5-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-pyrimidin-5-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]pyridine-3-carboxamide (CID 134288566) is 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-pyrimidin-5-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-pyrimidin-5-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-pyrimidin-5-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]pyridine-3-carboxamide is CN1CC2CN(c3ncc(C(=O)Nc4ccc(CCC(F)(F)F)cc4)cc3-c3cncnc3)CC2C1.
What is the InChIKey of 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-pyrimidin-5-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]pyridine-3-carboxamide?
The InChIKey is VQOUNAOUEAIZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N6O/c1-34-12-20-14-35(15-21(20)13-34)24-23(19-9-30-16-31-10-19)8-18(11-32-24)25(36)33-22-4-2-17(3-5-22)6-7-26(27,28)29/h2-5,8-11,16,20-21H,6-7,12-15H2,1H3,(H,33,36).
What are the key properties of 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-pyrimidin-5-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]pyridine-3-carboxamide?
6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-pyrimidin-5-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]pyridine-3-carboxamide has a molecular weight of 496.54 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-5-pyrimidin-5-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 134288566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).