methyl 5-(4-carbamoylquinolin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate

C18H17N5O3 — CID 146041530

IUPACmethyl 5-(4-carbamoylquinolin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1n[nH]c2c1CN(c1cc(C(N)=O)c3ccccc3n1)CC2
InChIInChI=1S/C18H17N5O3/c1-26-18(25)16-12-9-23(7-6-14(12)21-22-16)15-8-11(17(19)24)10-4-2-3-5-13(10)20-15/h2-5,8H,6-7,9H2,1H3,(H2,19,24)(H,21,22)
InChIKeyQJRPUCRTMOQHMS-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.41
Rot. Bonds3

About methyl 5-(4-carbamoylquinolin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate

methyl 5-(4-carbamoylquinolin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 146041530) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is methyl 5-(4-carbamoylquinolin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-carbamoylquinolin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID146041530
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Namemethyl 5-(4-carbamoylquinolin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1n[nH]c2c1CN(c1cc(C(N)=O)c3ccccc3n1)CC2
InChIInChI=1S/C18H17N5O3/c1-26-18(25)16-12-9-23(7-6-14(12)21-22-16)15-8-11(17(19)24)10-4-2-3-5-13(10)20-15/h2-5,8H,6-7,9H2,1H3,(H2,19,24)(H,21,22)
InChIKeyQJRPUCRTMOQHMS-UHFFFAOYSA-N
XLogP1.41
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-(4-carbamoylquinolin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate with MolForge

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Related Compounds

2-piperidin-1-ylquinoline-4-carboxamide
CID 22481833
2-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)quinoline-4-carboxamide
CID 146041987
2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]quinoline-4-carboxamide
CID 154567019
2-(3,5-dimethylpiperazin-1-yl)quinoline-4-carboxamide
CID 63884867
2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide
CID 146039796
methyl 5-[2-(benzotriazol-1-yl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 166236287
acetic acid;2-(4-piperidin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 163333548
2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide
CID 94022780
2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]quinoline-4-carboxamide
CID 154817068
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide
CID 117090539
1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 63885030
2-(2,2-dimethylpiperazin-1-yl)quinoline-4-carboxamide
CID 65463226

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-carbamoylquinolin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 5-(4-carbamoylquinolin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate (CID 146041530) is methyl 5-(4-carbamoylquinolin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(4-carbamoylquinolin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(4-carbamoylquinolin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate is COC(=O)c1n[nH]c2c1CN(c1cc(C(N)=O)c3ccccc3n1)CC2.
What is the InChIKey of methyl 5-(4-carbamoylquinolin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is QJRPUCRTMOQHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-26-18(25)16-12-9-23(7-6-14(12)21-22-16)15-8-11(17(19)24)10-4-2-3-5-13(10)20-15/h2-5,8H,6-7,9H2,1H3,(H2,19,24)(H,21,22).
What are the key properties of methyl 5-(4-carbamoylquinolin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
methyl 5-(4-carbamoylquinolin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 351.37 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-carbamoylquinolin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 146041530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).