ethyl 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C26H26FN5O3 — CID 26234071

IUPACethyl 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)Cc1c(C)[nH]c3c(F)cccc13)CC2
InChIInChI=1S/C26H26FN5O3/c1-3-35-26(34)25-20-15-31(12-10-22(20)32(30-25)14-17-7-4-5-11-28-17)23(33)13-19-16(2)29-24-18(19)8-6-9-21(24)27/h4-9,11,29H,3,10,12-15H2,1-2H3
InChIKeyLWALCHBDUJBQSR-UHFFFAOYSA-N
MW475.52 g/mol
LogP3.56
Rot. Bonds6

About ethyl 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26234071) has the molecular formula C26H26FN5O3 and a molecular weight of 475.52 g/mol. Its IUPAC name is ethyl 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26234071
Molecular FormulaC26H26FN5O3
Molecular Weight475.52 g/mol
Exact Mass475.20
IUPAC Nameethyl 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)Cc1c(C)[nH]c3c(F)cccc13)CC2
InChIInChI=1S/C26H26FN5O3/c1-3-35-26(34)25-20-15-31(12-10-22(20)32(30-25)14-17-7-4-5-11-28-17)23(33)13-19-16(2)29-24-18(19)8-6-9-21(24)27/h4-9,11,29H,3,10,12-15H2,1-2H3
InChIKeyLWALCHBDUJBQSR-UHFFFAOYSA-N
XLogP3.56
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze ethyl 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate
CID 1265037
ethyl 3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylate
CID 15958783
1-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]pyrazole-3-carboxylic acid
CID 166632811
1H-indazol-3-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 91800747
ethyl 5-{1-methyl-3-[(pyridin-4-ylmethyl)carbamoyl]-1H-pyrazol-5-yl}-1H-indole-2-carboxylate
CID 45377564
ethyl 5-{5-methyl-2-[(pyridin-4-ylmethyl)carbamoyl]pyridin-4-yl}-1H-indole-2-carboxylate
CID 45377565
ethyl 5-[1-methyl-3-[(6-oxo-1H-pyridin-3-yl)methylcarbamoyl]pyrazol-5-yl]-1H-indole-2-carboxylate
CID 45377703
5-[5-(methoxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
CID 146254726
5-[4-(methoxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
CID 146254731
[(1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl] 1-(1-methylpyrazol-4-yl)indole-3-carboxylate
CID 89927732
(R)-(4-benzyl-8-oxo-2-phenethyl-2,4,5,6,7,8-hexahydropyrazolo[4,3-e][1,4]diazepin-6-yl)methyl 1-methyl-1H-indole-3-carboxylate
CID 44180167
methyl 3-(1-ethylindol-3-yl)-1H-pyrazole-5-carboxylate
CID 71489159

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26234071) is ethyl 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)Cc1c(C)[nH]c3c(F)cccc13)CC2.
What is the InChIKey of ethyl 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is LWALCHBDUJBQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O3/c1-3-35-26(34)25-20-15-31(12-10-22(20)32(30-25)14-17-7-4-5-11-28-17)23(33)13-19-16(2)29-24-18(19)8-6-9-21(24)27/h4-9,11,29H,3,10,12-15H2,1-2H3.
What are the key properties of ethyl 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 475.52 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26234071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).