ethyl 1-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C15H20N4O2S — CID 166276615

IUPACethyl 1-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(C)c2c1CN(Cc1nc(C)cs1)CC2
InChIInChI=1S/C15H20N4O2S/c1-4-21-15(20)14-11-7-19(6-5-12(11)18(3)17-14)8-13-16-10(2)9-22-13/h9H,4-8H2,1-3H3
InChIKeyDQFRYMSNRUSGDW-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.92
Rot. Bonds4

About ethyl 1-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 1-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 166276615) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is ethyl 1-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID166276615
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Nameethyl 1-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(C)c2c1CN(Cc1nc(C)cs1)CC2
InChIInChI=1S/C15H20N4O2S/c1-4-21-15(20)14-11-7-19(6-5-12(11)18(3)17-14)8-13-16-10(2)9-22-13/h9H,4-8H2,1-3H3
InChIKeyDQFRYMSNRUSGDW-UHFFFAOYSA-N
XLogP1.92
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 166276615) is ethyl 1-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(C)c2c1CN(Cc1nc(C)cs1)CC2.
What is the InChIKey of ethyl 1-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is DQFRYMSNRUSGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-4-21-15(20)14-11-7-19(6-5-12(11)18(3)17-14)8-13-16-10(2)9-22-13/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 1-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 1-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 320.42 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 166276615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).