1',1'-difluoro-3-propan-2-ylspiro[6,7-dihydro-4H-pyrazolo[1,5-a]pyridine-5,3'-cyclobutane]-2-amine

C13H19F2N3 — CID 177339419

IUPAC1',1'-difluoro-3-propan-2-ylspiro[6,7-dihydro-4H-pyrazolo[1,5-a]pyridine-5,3'-cyclobutane]-2-amine
SMILESCC(C)c1c(N)nn2c1CC1(CC2)CC(F)(F)C1
InChIInChI=1S/C13H19F2N3/c1-8(2)10-9-5-12(6-13(14,15)7-12)3-4-18(9)17-11(10)16/h8H,3-7H2,1-2H3,(H2,16,17)
InChIKeyZDRXAIMNSLSJLV-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.95
Rot. Bonds1

About 1',1'-difluoro-3-propan-2-ylspiro[6,7-dihydro-4H-pyrazolo[1,5-a]pyridine-5,3'-cyclobutane]-2-amine

1',1'-difluoro-3-propan-2-ylspiro[6,7-dihydro-4H-pyrazolo[1,5-a]pyridine-5,3'-cyclobutane]-2-amine (PubChem CID 177339419) has the molecular formula C13H19F2N3 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1',1'-difluoro-3-propan-2-ylspiro[6,7-dihydro-4H-pyrazolo[1,5-a]pyridine-5,3'-cyclobutane]-2-amine.

Molecular Properties

Compound Name1',1'-difluoro-3-propan-2-ylspiro[6,7-dihydro-4H-pyrazolo[1,5-a]pyridine-5,3'-cyclobutane]-2-amine
PubChem CID177339419
Molecular FormulaC13H19F2N3
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1',1'-difluoro-3-propan-2-ylspiro[6,7-dihydro-4H-pyrazolo[1,5-a]pyridine-5,3'-cyclobutane]-2-amine
SMILESCC(C)c1c(N)nn2c1CC1(CC2)CC(F)(F)C1
InChIInChI=1S/C13H19F2N3/c1-8(2)10-9-5-12(6-13(14,15)7-12)3-4-18(9)17-11(10)16/h8H,3-7H2,1-2H3,(H2,16,17)
InChIKeyZDRXAIMNSLSJLV-UHFFFAOYSA-N
XLogP2.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1',1'-difluoro-3-propan-2-ylspiro[6,7-dihydro-4H-pyrazolo[1,5-a]pyridine-5,3'-cyclobutane]-2-amine?
The IUPAC name of 1',1'-difluoro-3-propan-2-ylspiro[6,7-dihydro-4H-pyrazolo[1,5-a]pyridine-5,3'-cyclobutane]-2-amine (CID 177339419) is 1',1'-difluoro-3-propan-2-ylspiro[6,7-dihydro-4H-pyrazolo[1,5-a]pyridine-5,3'-cyclobutane]-2-amine.
What is the SMILES notation for 1',1'-difluoro-3-propan-2-ylspiro[6,7-dihydro-4H-pyrazolo[1,5-a]pyridine-5,3'-cyclobutane]-2-amine?
The canonical SMILES for 1',1'-difluoro-3-propan-2-ylspiro[6,7-dihydro-4H-pyrazolo[1,5-a]pyridine-5,3'-cyclobutane]-2-amine is CC(C)c1c(N)nn2c1CC1(CC2)CC(F)(F)C1.
What is the InChIKey of 1',1'-difluoro-3-propan-2-ylspiro[6,7-dihydro-4H-pyrazolo[1,5-a]pyridine-5,3'-cyclobutane]-2-amine?
The InChIKey is ZDRXAIMNSLSJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3/c1-8(2)10-9-5-12(6-13(14,15)7-12)3-4-18(9)17-11(10)16/h8H,3-7H2,1-2H3,(H2,16,17).
What are the key properties of 1',1'-difluoro-3-propan-2-ylspiro[6,7-dihydro-4H-pyrazolo[1,5-a]pyridine-5,3'-cyclobutane]-2-amine?
1',1'-difluoro-3-propan-2-ylspiro[6,7-dihydro-4H-pyrazolo[1,5-a]pyridine-5,3'-cyclobutane]-2-amine has a molecular weight of 255.31 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1',1'-difluoro-3-propan-2-ylspiro[6,7-dihydro-4H-pyrazolo[1,5-a]pyridine-5,3'-cyclobutane]-2-amine is sourced from PubChem (CID 177339419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).