tert-butyl (7R)-3,7-dimethyl-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate

C19H25N3O2 — CID 160722850

IUPACtert-butyl (7R)-3,7-dimethyl-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
SMILESCc1c2c(nn1-c1ccccc1)[C@@H](C)N(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C19H25N3O2/c1-13-16-11-12-21(18(23)24-19(3,4)5)14(2)17(16)20-22(13)15-9-7-6-8-10-15/h6-10,14H,11-12H2,1-5H3/t14-/m1/s1
InChIKeyRTIDHPXPRVXPPN-CQSZACIVSA-N
MW327.43 g/mol
LogP4.03
Rot. Bonds1

About tert-butyl (7R)-3,7-dimethyl-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate

tert-butyl (7R)-3,7-dimethyl-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate (PubChem CID 160722850) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is tert-butyl (7R)-3,7-dimethyl-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl (7R)-3,7-dimethyl-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
PubChem CID160722850
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Nametert-butyl (7R)-3,7-dimethyl-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
SMILESCc1c2c(nn1-c1ccccc1)[C@@H](C)N(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C19H25N3O2/c1-13-16-11-12-21(18(23)24-19(3,4)5)14(2)17(16)20-22(13)15-9-7-6-8-10-15/h6-10,14H,11-12H2,1-5H3/t14-/m1/s1
InChIKeyRTIDHPXPRVXPPN-CQSZACIVSA-N
XLogP4.03
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (7R)-3,7-dimethyl-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate with MolForge

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Related Compounds

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tert-butyl 3-oxo-2-phenylpyrrolidine-1-carboxylate
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tert-butyl 7-methyl-3-oxo-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine-6-carboxylate
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tert-butyl 4-(1,5-diphenyl-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
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tert-butyl 1,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 58417776
tert-butyl (4E)-4-benzylidene-2-methylpiperidine-1-carboxylate
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tert-butyl 3-amino-7-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate
CID 83851299
tert-butyl (2S)-2-(1-phenyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxylate
CID 59650638
(2S,4S)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (7R)-3,7-dimethyl-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate?
The IUPAC name of tert-butyl (7R)-3,7-dimethyl-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate (CID 160722850) is tert-butyl (7R)-3,7-dimethyl-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl (7R)-3,7-dimethyl-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl (7R)-3,7-dimethyl-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate is Cc1c2c(nn1-c1ccccc1)[C@@H](C)N(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl (7R)-3,7-dimethyl-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate?
The InChIKey is RTIDHPXPRVXPPN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-16-11-12-21(18(23)24-19(3,4)5)14(2)17(16)20-22(13)15-9-7-6-8-10-15/h6-10,14H,11-12H2,1-5H3/t14-/m1/s1.
What are the key properties of tert-butyl (7R)-3,7-dimethyl-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate?
tert-butyl (7R)-3,7-dimethyl-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate has a molecular weight of 327.43 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (7R)-3,7-dimethyl-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 160722850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).