(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3,4,5-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C17H22FN3 — CID 142309991

IUPAC(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3,4,5-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCc1cc(-n2nc3c(c2C)[C@H](C)N(C)CC3)cc(C)c1F
InChIInChI=1S/C17H22FN3/c1-10-8-14(9-11(2)17(10)18)21-13(4)16-12(3)20(5)7-6-15(16)19-21/h8-9,12H,6-7H2,1-5H3/t12-/m0/s1
InChIKeyHROMDIAYLAXJAO-LBPRGKRZSA-N
MW287.38 g/mol
LogP3.49
Rot. Bonds1

About (4S)-2-(4-fluoro-3,5-dimethylphenyl)-3,4,5-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3,4,5-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 142309991) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is (4S)-2-(4-fluoro-3,5-dimethylphenyl)-3,4,5-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3,4,5-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID142309991
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3,4,5-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCc1cc(-n2nc3c(c2C)[C@H](C)N(C)CC3)cc(C)c1F
InChIInChI=1S/C17H22FN3/c1-10-8-14(9-11(2)17(10)18)21-13(4)16-12(3)20(5)7-6-15(16)19-21/h8-9,12H,6-7H2,1-5H3/t12-/m0/s1
InChIKeyHROMDIAYLAXJAO-LBPRGKRZSA-N
XLogP3.49
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(4-fluoro-3,5-dimethylphenyl)-3,4,5-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of (4S)-2-(4-fluoro-3,5-dimethylphenyl)-3,4,5-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 142309991) is (4S)-2-(4-fluoro-3,5-dimethylphenyl)-3,4,5-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for (4S)-2-(4-fluoro-3,5-dimethylphenyl)-3,4,5-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for (4S)-2-(4-fluoro-3,5-dimethylphenyl)-3,4,5-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is Cc1cc(-n2nc3c(c2C)[C@H](C)N(C)CC3)cc(C)c1F.
What is the InChIKey of (4S)-2-(4-fluoro-3,5-dimethylphenyl)-3,4,5-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is HROMDIAYLAXJAO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22FN3/c1-10-8-14(9-11(2)17(10)18)21-13(4)16-12(3)20(5)7-6-15(16)19-21/h8-9,12H,6-7H2,1-5H3/t12-/m0/s1.
What are the key properties of (4S)-2-(4-fluoro-3,5-dimethylphenyl)-3,4,5-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3,4,5-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 287.38 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(4-fluoro-3,5-dimethylphenyl)-3,4,5-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 142309991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).