methyl (3R)-3-pyridin-4-yl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)butanoate

C18H22N4O3 — CID 124619280

IUPACmethyl (3R)-3-pyridin-4-yl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)butanoate
SMILESCOC(=O)C[C@@](C)(NC(=O)c1cnn2c1CCCC2)c1ccncc1
InChIInChI=1S/C18H22N4O3/c1-18(11-16(23)25-2,13-6-8-19-9-7-13)21-17(24)14-12-20-22-10-4-3-5-15(14)22/h6-9,12H,3-5,10-11H2,1-2H3,(H,21,24)/t18-/m1/s1
InChIKeyAQBABRZCLJNWLF-GOSISDBHSA-N
MW342.40 g/mol
LogP1.82
Rot. Bonds5

About methyl (3R)-3-pyridin-4-yl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)butanoate

methyl (3R)-3-pyridin-4-yl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)butanoate (PubChem CID 124619280) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl (3R)-3-pyridin-4-yl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)butanoate.

Molecular Properties

Compound Namemethyl (3R)-3-pyridin-4-yl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)butanoate
PubChem CID124619280
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Namemethyl (3R)-3-pyridin-4-yl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)butanoate
SMILESCOC(=O)C[C@@](C)(NC(=O)c1cnn2c1CCCC2)c1ccncc1
InChIInChI=1S/C18H22N4O3/c1-18(11-16(23)25-2,13-6-8-19-9-7-13)21-17(24)14-12-20-22-10-4-3-5-15(14)22/h6-9,12H,3-5,10-11H2,1-2H3,(H,21,24)/t18-/m1/s1
InChIKeyAQBABRZCLJNWLF-GOSISDBHSA-N
XLogP1.82
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (3R)-3-pyridin-4-yl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)butanoate with MolForge

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Related Compounds

N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 99704160
methyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate
CID 118139533
methyl (3R)-3-[(4-pyrazol-1-ylbenzoyl)amino]-3-pyridin-4-ylbutanoate
CID 99787483
2-methyl-2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]propanoic acid
CID 120528669
4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]benzoic acid
CID 120512943
methyl 1-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclohexane-1-carboxylate
CID 75520661
2-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid
CID 120525619
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclobutane-1-carboxylic acid
CID 120530814
2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenoxy]acetic acid
CID 120537229
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 120512689
N-[(5-methylpyrazin-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 56893899
methyl (3S)-3-amino-3-pyridin-4-ylbutanoate
CID 97049448

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-pyridin-4-yl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)butanoate?
The IUPAC name of methyl (3R)-3-pyridin-4-yl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)butanoate (CID 124619280) is methyl (3R)-3-pyridin-4-yl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)butanoate.
What is the SMILES notation for methyl (3R)-3-pyridin-4-yl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)butanoate?
The canonical SMILES for methyl (3R)-3-pyridin-4-yl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)butanoate is COC(=O)C[C@@](C)(NC(=O)c1cnn2c1CCCC2)c1ccncc1.
What is the InChIKey of methyl (3R)-3-pyridin-4-yl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)butanoate?
The InChIKey is AQBABRZCLJNWLF-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-18(11-16(23)25-2,13-6-8-19-9-7-13)21-17(24)14-12-20-22-10-4-3-5-15(14)22/h6-9,12H,3-5,10-11H2,1-2H3,(H,21,24)/t18-/m1/s1.
What are the key properties of methyl (3R)-3-pyridin-4-yl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)butanoate?
methyl (3R)-3-pyridin-4-yl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)butanoate has a molecular weight of 342.40 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-pyridin-4-yl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)butanoate is sourced from PubChem (CID 124619280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).