methyl 1-methyl-5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride

C20H25ClN4O3 — CID 155940039

IUPACmethyl 1-methyl-5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1nn(C)c2c1CN(C(=O)[C@H]1CC[C@H](c3ccccc3)N1)CC2.Cl
InChIInChI=1S/C20H24N4O3.ClH/c1-23-17-10-11-24(12-14(17)18(22-23)20(26)27-2)19(25)16-9-8-15(21-16)13-6-4-3-5-7-13;/h3-7,15-16,21H,8-12H2,1-2H3;1H/t15-,16-;/m1./s1
InChIKeyALJIMHDJZZSQRE-QNBGGDODSA-N
MW404.90 g/mol
LogP2.01
Rot. Bonds3

About methyl 1-methyl-5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride

methyl 1-methyl-5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride (PubChem CID 155940039) has the molecular formula C20H25ClN4O3 and a molecular weight of 404.90 g/mol. Its IUPAC name is methyl 1-methyl-5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-methyl-5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride
PubChem CID155940039
Molecular FormulaC20H25ClN4O3
Molecular Weight404.90 g/mol
Exact Mass404.16
IUPAC Namemethyl 1-methyl-5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1nn(C)c2c1CN(C(=O)[C@H]1CC[C@H](c3ccccc3)N1)CC2.Cl
InChIInChI=1S/C20H24N4O3.ClH/c1-23-17-10-11-24(12-14(17)18(22-23)20(26)27-2)19(25)16-9-8-15(21-16)13-6-4-3-5-7-13;/h3-7,15-16,21H,8-12H2,1-2H3;1H/t15-,16-;/m1./s1
InChIKeyALJIMHDJZZSQRE-QNBGGDODSA-N
XLogP2.01
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride
CID 155938934
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
7-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 155495679
methyl 1-methyl-6-(2-methylbenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 84581846
[(2R,5R)-5-phenylpyrrolidin-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 155493050
methyl 6-(2,6-dimethoxybenzoyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 84579484
5-methoxycarbonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 83919332
methyl 5-phenylpyrrolidine-2-carboxylate
CID 67257959
[4-(2-hydroxyethyl)piperazin-1-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone;dihydrochloride
CID 154924091
1-methyl-5-[2-(3-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56704648
methyl 1-methyl-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 84579904
1-[5-(cyclopropanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 53018193

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 1-methyl-5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride (CID 155940039) is methyl 1-methyl-5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-methyl-5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-methyl-5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-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](c3ccccc3)N1)CC2.Cl.
What is the InChIKey of methyl 1-methyl-5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride?
The InChIKey is ALJIMHDJZZSQRE-QNBGGDODSA-N. The full InChI is InChI=1S/C20H24N4O3.ClH/c1-23-17-10-11-24(12-14(17)18(22-23)20(26)27-2)19(25)16-9-8-15(21-16)13-6-4-3-5-7-13;/h3-7,15-16,21H,8-12H2,1-2H3;1H/t15-,16-;/m1./s1.
What are the key properties of methyl 1-methyl-5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride?
methyl 1-methyl-5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride has a molecular weight of 404.90 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 155940039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).