4-phenyl-7-propan-2-yloxy-6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine

C17H17F3N2O — CID 123200260

IUPAC4-phenyl-7-propan-2-yloxy-6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
SMILESCC(C)Oc1c(C(F)(F)F)nc(-c2ccccc2)c2c1CNC2
InChIInChI=1S/C17H17F3N2O/c1-10(2)23-15-13-9-21-8-12(13)14(11-6-4-3-5-7-11)22-16(15)17(18,19)20/h3-7,10,21H,8-9H2,1-2H3
InChIKeyBRCBBPAVDZNADO-UHFFFAOYSA-N
MW322.33 g/mol
LogP4.16
Rot. Bonds3

About 4-phenyl-7-propan-2-yloxy-6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine

4-phenyl-7-propan-2-yloxy-6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine (PubChem CID 123200260) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is 4-phenyl-7-propan-2-yloxy-6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-phenyl-7-propan-2-yloxy-6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
PubChem CID123200260
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name4-phenyl-7-propan-2-yloxy-6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
SMILESCC(C)Oc1c(C(F)(F)F)nc(-c2ccccc2)c2c1CNC2
InChIInChI=1S/C17H17F3N2O/c1-10(2)23-15-13-9-21-8-12(13)14(11-6-4-3-5-7-11)22-16(15)17(18,19)20/h3-7,10,21H,8-9H2,1-2H3
InChIKeyBRCBBPAVDZNADO-UHFFFAOYSA-N
XLogP4.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Barucainide
CID 146795
3-Phenyl-5-((R)-pyrrolidin-3-yloxy)-pyridine
CID 9856178
Ethanamine, 2-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-N,N-dimethyl-, dihydrochloride
CID 3052096
2-Propanol, 1-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-3-((1-methylethyl)amino)-, monohydrochloride
CID 3052126
3-(3-Methoxy-phenyl)-5-((R)-pyrrolidin-3-yloxy)-pyridine
CID 44266529
1-Butanamine, 4-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-N-(1-methylethyl)-, hydrochloride (1:2)
CID 198513
1-Propanamine, 3-((6-ethyl-1,3-dihydro-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-N,N-dimethyl-, dihydrochloride
CID 3052102
1-Propanamine, 3-((1,3-dihydro-4,6-bis(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-N,N-dimethyl-, dihydrochloride
CID 3052104
1-Propanamine, 3-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-N-(1-methylethyl)-, dihdyrochloride
CID 3052106
1-Propanamine, 3-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-N,N-dipropyl-, dihydrochloride
CID 3052108
Furo(3,4-c)pyridine, 1,3-dihydro-6-methyl-4-(phenylmethyl)-7-(3-(1-piperazinyl)propoxy)-, dihydrochloride
CID 3052110
1-Pentanamine, 5-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-N-(1-methylethyl)-, dihydrochloride
CID 3052112

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-7-propan-2-yloxy-6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 4-phenyl-7-propan-2-yloxy-6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine (CID 123200260) is 4-phenyl-7-propan-2-yloxy-6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 4-phenyl-7-propan-2-yloxy-6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 4-phenyl-7-propan-2-yloxy-6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine is CC(C)Oc1c(C(F)(F)F)nc(-c2ccccc2)c2c1CNC2.
What is the InChIKey of 4-phenyl-7-propan-2-yloxy-6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine?
The InChIKey is BRCBBPAVDZNADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O/c1-10(2)23-15-13-9-21-8-12(13)14(11-6-4-3-5-7-11)22-16(15)17(18,19)20/h3-7,10,21H,8-9H2,1-2H3.
What are the key properties of 4-phenyl-7-propan-2-yloxy-6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine?
4-phenyl-7-propan-2-yloxy-6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine has a molecular weight of 322.33 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-7-propan-2-yloxy-6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 123200260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).