tert-butyl 3-amino-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate

C19H26N4O3 — CID 137353301

IUPACtert-butyl 3-amino-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
SMILESCOc1cccc(C)c1-n1nc2c(c1N)CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C19H26N4O3/c1-12-7-6-8-15(25-5)16(12)23-17(20)13-11-22(10-9-14(13)21-23)18(24)26-19(2,3)4/h6-8H,9-11,20H2,1-5H3
InChIKeyZJYVRHKSMAJTFB-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.06
Rot. Bonds2

About tert-butyl 3-amino-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate

tert-butyl 3-amino-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate (PubChem CID 137353301) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is tert-butyl 3-amino-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
PubChem CID137353301
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Nametert-butyl 3-amino-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
SMILESCOc1cccc(C)c1-n1nc2c(c1N)CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C19H26N4O3/c1-12-7-6-8-15(25-5)16(12)23-17(20)13-11-22(10-9-14(13)21-23)18(24)26-19(2,3)4/h6-8H,9-11,20H2,1-5H3
InChIKeyZJYVRHKSMAJTFB-UHFFFAOYSA-N
XLogP3.06
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 3-amino-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate (CID 137353301) is tert-butyl 3-amino-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 3-amino-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate is COc1cccc(C)c1-n1nc2c(c1N)CN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 3-amino-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?
The InChIKey is ZJYVRHKSMAJTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-12-7-6-8-15(25-5)16(12)23-17(20)13-11-22(10-9-14(13)21-23)18(24)26-19(2,3)4/h6-8H,9-11,20H2,1-5H3.
What are the key properties of tert-butyl 3-amino-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?
tert-butyl 3-amino-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate is sourced from PubChem (CID 137353301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).