2-[2-(3,3-difluoropyrrolidin-1-yl)-3-(dimethylamino)propyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde

C17H27F2N5O — CID 166657597

IUPAC2-[2-(3,3-difluoropyrrolidin-1-yl)-3-(dimethylamino)propyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde
SMILESCN(C)CC(Cn1nc2c(c1C=O)CN(C)CC2)N1CCC(F)(F)C1
InChIInChI=1S/C17H27F2N5O/c1-21(2)8-13(23-7-5-17(18,19)12-23)9-24-16(11-25)14-10-22(3)6-4-15(14)20-24/h11,13H,4-10,12H2,1-3H3
InChIKeyNQCVQIQCWMRSSG-UHFFFAOYSA-N
MW355.43 g/mol
LogP0.95
Rot. Bonds6

About 2-[2-(3,3-difluoropyrrolidin-1-yl)-3-(dimethylamino)propyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde

2-[2-(3,3-difluoropyrrolidin-1-yl)-3-(dimethylamino)propyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde (PubChem CID 166657597) has the molecular formula C17H27F2N5O and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-[2-(3,3-difluoropyrrolidin-1-yl)-3-(dimethylamino)propyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[2-(3,3-difluoropyrrolidin-1-yl)-3-(dimethylamino)propyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde
PubChem CID166657597
Molecular FormulaC17H27F2N5O
Molecular Weight355.43 g/mol
Exact Mass355.22
IUPAC Name2-[2-(3,3-difluoropyrrolidin-1-yl)-3-(dimethylamino)propyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde
SMILESCN(C)CC(Cn1nc2c(c1C=O)CN(C)CC2)N1CCC(F)(F)C1
InChIInChI=1S/C17H27F2N5O/c1-21(2)8-13(23-7-5-17(18,19)12-23)9-24-16(11-25)14-10-22(3)6-4-15(14)20-24/h11,13H,4-10,12H2,1-3H3
InChIKeyNQCVQIQCWMRSSG-UHFFFAOYSA-N
XLogP0.95
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-difluoropyrrolidin-1-yl)-3-(dimethylamino)propyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde?
The IUPAC name of 2-[2-(3,3-difluoropyrrolidin-1-yl)-3-(dimethylamino)propyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde (CID 166657597) is 2-[2-(3,3-difluoropyrrolidin-1-yl)-3-(dimethylamino)propyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-[2-(3,3-difluoropyrrolidin-1-yl)-3-(dimethylamino)propyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde?
The canonical SMILES for 2-[2-(3,3-difluoropyrrolidin-1-yl)-3-(dimethylamino)propyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde is CN(C)CC(Cn1nc2c(c1C=O)CN(C)CC2)N1CCC(F)(F)C1.
What is the InChIKey of 2-[2-(3,3-difluoropyrrolidin-1-yl)-3-(dimethylamino)propyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde?
The InChIKey is NQCVQIQCWMRSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2N5O/c1-21(2)8-13(23-7-5-17(18,19)12-23)9-24-16(11-25)14-10-22(3)6-4-15(14)20-24/h11,13H,4-10,12H2,1-3H3.
What are the key properties of 2-[2-(3,3-difluoropyrrolidin-1-yl)-3-(dimethylamino)propyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde?
2-[2-(3,3-difluoropyrrolidin-1-yl)-3-(dimethylamino)propyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde has a molecular weight of 355.43 g/mol, XLogP of 0.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-difluoropyrrolidin-1-yl)-3-(dimethylamino)propyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde is sourced from PubChem (CID 166657597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).