methyl 3-[[1-(cyclopropylmethyl)-5-(3-methylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate

C21H32N4O4 — CID 45161512

IUPACmethyl 3-[[1-(cyclopropylmethyl)-5-(3-methylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate
SMILESCCC(C)CC(=O)N1CCc2c(c(C(=O)NCCC(=O)OC)nn2CC2CC2)C1
InChIInChI=1S/C21H32N4O4/c1-4-14(2)11-18(26)24-10-8-17-16(13-24)20(23-25(17)12-15-5-6-15)21(28)22-9-7-19(27)29-3/h14-15H,4-13H2,1-3H3,(H,22,28)
InChIKeyYAHQQIVICMXDHO-UHFFFAOYSA-N
MW404.51 g/mol
LogP1.91
Rot. Bonds9

About methyl 3-[[1-(cyclopropylmethyl)-5-(3-methylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate

methyl 3-[[1-(cyclopropylmethyl)-5-(3-methylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate (PubChem CID 45161512) has the molecular formula C21H32N4O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is methyl 3-[[1-(cyclopropylmethyl)-5-(3-methylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[1-(cyclopropylmethyl)-5-(3-methylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate
PubChem CID45161512
Molecular FormulaC21H32N4O4
Molecular Weight404.51 g/mol
Exact Mass404.24
IUPAC Namemethyl 3-[[1-(cyclopropylmethyl)-5-(3-methylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate
SMILESCCC(C)CC(=O)N1CCc2c(c(C(=O)NCCC(=O)OC)nn2CC2CC2)C1
InChIInChI=1S/C21H32N4O4/c1-4-14(2)11-18(26)24-10-8-17-16(13-24)20(23-25(17)12-15-5-6-15)21(28)22-9-7-19(27)29-3/h14-15H,4-13H2,1-3H3,(H,22,28)
InChIKeyYAHQQIVICMXDHO-UHFFFAOYSA-N
XLogP1.91
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[1-(cyclopropylmethyl)-5-(3-methylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate with MolForge

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Related Compounds

methyl 3-[[1-(cyclopropylmethyl)-5-[3-(3,5-dimethylphenyl)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate
CID 26145274
methyl 3-[[5-[(5-acetamidothiophen-2-yl)methyl]-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate
CID 26146825
1-(cyclopropylmethyl)-5-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26224035
1-(cyclopropylmethyl)-5-(2-phenoxyacetyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26230003
1-(cyclopropylmethyl)-5-[2-(3-methoxyphenyl)acetyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26134155
1-(cyclopropylmethyl)-5-[3-(4-methylphenyl)propanoyl]-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26143371
5-[2-(1,3-benzodioxol-5-yl)acetyl]-1-(cyclopropylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26231520
methyl 3-[[6-(2-cyclohexylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl]amino]propanoate
CID 166618223
[1-(cyclopropylmethyl)-3-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 71837250
5-(4-chloro-2-hydroxybenzoyl)-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56709419
1-[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone
CID 71837214
[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(furan-3-yl)methanone
CID 71837217

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(cyclopropylmethyl)-5-(3-methylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[[1-(cyclopropylmethyl)-5-(3-methylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate (CID 45161512) is methyl 3-[[1-(cyclopropylmethyl)-5-(3-methylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[1-(cyclopropylmethyl)-5-(3-methylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[[1-(cyclopropylmethyl)-5-(3-methylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate is CCC(C)CC(=O)N1CCc2c(c(C(=O)NCCC(=O)OC)nn2CC2CC2)C1.
What is the InChIKey of methyl 3-[[1-(cyclopropylmethyl)-5-(3-methylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate?
The InChIKey is YAHQQIVICMXDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O4/c1-4-14(2)11-18(26)24-10-8-17-16(13-24)20(23-25(17)12-15-5-6-15)21(28)22-9-7-19(27)29-3/h14-15H,4-13H2,1-3H3,(H,22,28).
What are the key properties of methyl 3-[[1-(cyclopropylmethyl)-5-(3-methylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate?
methyl 3-[[1-(cyclopropylmethyl)-5-(3-methylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate has a molecular weight of 404.51 g/mol, XLogP of 1.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(cyclopropylmethyl)-5-(3-methylpentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 45161512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).