4-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidine

C17H16F3N7 — CID 155975230

IUPAC4-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESFC(F)(F)c1cccnc1N1CC2CN(c3ncnc4[nH]ncc34)CC2C1
InChIInChI=1S/C17H16F3N7/c18-17(19,20)13-2-1-3-21-16(13)27-7-10-5-26(6-11(10)8-27)15-12-4-24-25-14(12)22-9-23-15/h1-4,9-11H,5-8H2,(H,22,23,24,25)
InChIKeyBWMZKEXNUQWWDE-UHFFFAOYSA-N
MW375.36 g/mol
LogP2.34
Rot. Bonds2

About 4-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidine

4-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 155975230) has the molecular formula C17H16F3N7 and a molecular weight of 375.36 g/mol. Its IUPAC name is 4-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID155975230
Molecular FormulaC17H16F3N7
Molecular Weight375.36 g/mol
Exact Mass375.14
IUPAC Name4-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESFC(F)(F)c1cccnc1N1CC2CN(c3ncnc4[nH]ncc34)CC2C1
InChIInChI=1S/C17H16F3N7/c18-17(19,20)13-2-1-3-21-16(13)27-7-10-5-26(6-11(10)8-27)15-12-4-24-25-14(12)22-9-23-15/h1-4,9-11H,5-8H2,(H,22,23,24,25)
InChIKeyBWMZKEXNUQWWDE-UHFFFAOYSA-N
XLogP2.34
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidine with MolForge

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Related Compounds

(3aR,6aS)-5-[3-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042570
4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 138511220
4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 131087765
(4aS,7aS)-6-[3-(trifluoromethyl)-2-pyridinyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683963
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 51491376
2-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 155975188
(3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 68719907
4-[4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride
CID 90169604
2-ethyl-6-methyl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 146088274
(1S,9S)-11-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 98197711
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 84818655
4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 163352426

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidine (CID 155975230) is 4-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidine is FC(F)(F)c1cccnc1N1CC2CN(c3ncnc4[nH]ncc34)CC2C1.
What is the InChIKey of 4-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is BWMZKEXNUQWWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N7/c18-17(19,20)13-2-1-3-21-16(13)27-7-10-5-26(6-11(10)8-27)15-12-4-24-25-14(12)22-9-23-15/h1-4,9-11H,5-8H2,(H,22,23,24,25).
What are the key properties of 4-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidine?
4-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 375.36 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 155975230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).