methyl 5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride

C16H25ClN4O4 — CID 155938885

IUPACmethyl 5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1nn(C)c2c1CN(C(=O)[C@H]1CC[C@@H](O)[C@H](N)C1)CC2.Cl
InChIInChI=1S/C16H24N4O4.ClH/c1-19-12-5-6-20(8-10(12)14(18-19)16(23)24-2)15(22)9-3-4-13(21)11(17)7-9;/h9,11,13,21H,3-8,17H2,1-2H3;1H/t9-,11+,13+;/m0./s1
InChIKeyHXECGEKBUFPMDZ-CJFXAZPISA-N
MW372.85 g/mol
LogP0.00
Rot. Bonds2

About methyl 5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride

methyl 5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride (PubChem CID 155938885) has the molecular formula C16H25ClN4O4 and a molecular weight of 372.85 g/mol. Its IUPAC name is methyl 5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride
PubChem CID155938885
Molecular FormulaC16H25ClN4O4
Molecular Weight372.85 g/mol
Exact Mass372.16
IUPAC Namemethyl 5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1nn(C)c2c1CN(C(=O)[C@H]1CC[C@@H](O)[C@H](N)C1)CC2.Cl
InChIInChI=1S/C16H24N4O4.ClH/c1-19-12-5-6-20(8-10(12)14(18-19)16(23)24-2)15(22)9-3-4-13(21)11(17)7-9;/h9,11,13,21H,3-8,17H2,1-2H3;1H/t9-,11+,13+;/m0./s1
InChIKeyHXECGEKBUFPMDZ-CJFXAZPISA-N
XLogP0.00
TPSA110.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride (CID 155938885) is methyl 5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride is COC(=O)c1nn(C)c2c1CN(C(=O)[C@H]1CC[C@@H](O)[C@H](N)C1)CC2.Cl.
What is the InChIKey of methyl 5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride?
The InChIKey is HXECGEKBUFPMDZ-CJFXAZPISA-N. The full InChI is InChI=1S/C16H24N4O4.ClH/c1-19-12-5-6-20(8-10(12)14(18-19)16(23)24-2)15(22)9-3-4-13(21)11(17)7-9;/h9,11,13,21H,3-8,17H2,1-2H3;1H/t9-,11+,13+;/m0./s1.
What are the key properties of methyl 5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride?
methyl 5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride has a molecular weight of 372.85 g/mol, XLogP of 0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 155938885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).