4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanol

C21H25F3N4O — CID 123467729

IUPAC4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanol
SMILESOC(c1n[nH]c2c1CCNC2)N1CC2CC(c3ccccc3C(F)(F)F)CC2C1
InChIInChI=1S/C21H25F3N4O/c22-21(23,24)17-4-2-1-3-15(17)12-7-13-10-28(11-14(13)8-12)20(29)19-16-5-6-25-9-18(16)26-27-19/h1-4,12-14,20,25,29H,5-11H2,(H,26,27)
InChIKeyFSQJAHDDIKQMIL-UHFFFAOYSA-N
MW406.45 g/mol
LogP3.19
Rot. Bonds3

About 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanol

4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanol (PubChem CID 123467729) has the molecular formula C21H25F3N4O and a molecular weight of 406.45 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanol.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanol
PubChem CID123467729
Molecular FormulaC21H25F3N4O
Molecular Weight406.45 g/mol
Exact Mass406.20
IUPAC Name4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanol
SMILESOC(c1n[nH]c2c1CCNC2)N1CC2CC(c3ccccc3C(F)(F)F)CC2C1
InChIInChI=1S/C21H25F3N4O/c22-21(23,24)17-4-2-1-3-15(17)12-7-13-10-28(11-14(13)8-12)20(29)19-16-5-6-25-9-18(16)26-27-19/h1-4,12-14,20,25,29H,5-11H2,(H,26,27)
InChIKeyFSQJAHDDIKQMIL-UHFFFAOYSA-N
XLogP3.19
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanol?
The IUPAC name of 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanol (CID 123467729) is 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanol.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanol?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanol is OC(c1n[nH]c2c1CCNC2)N1CC2CC(c3ccccc3C(F)(F)F)CC2C1.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanol?
The InChIKey is FSQJAHDDIKQMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O/c22-21(23,24)17-4-2-1-3-15(17)12-7-13-10-28(11-14(13)8-12)20(29)19-16-5-6-25-9-18(16)26-27-19/h1-4,12-14,20,25,29H,5-11H2,(H,26,27).
What are the key properties of 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanol?
4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanol has a molecular weight of 406.45 g/mol, XLogP of 3.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanol is sourced from PubChem (CID 123467729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).