1-[1-(cyclopropylmethyl)-3-(1H-indol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C20H22N4O — CID 137250524

IUPAC1-[1-(cyclopropylmethyl)-3-(1H-indol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3c[nH]c4ccccc34)nn2CC2CC2)C1
InChIInChI=1S/C20H22N4O/c1-13(25)23-9-8-19-17(12-23)20(22-24(19)11-14-6-7-14)16-10-21-18-5-3-2-4-15(16)18/h2-5,10,14,21H,6-9,11-12H2,1H3
InChIKeyRWGXTFKQGCEQMJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.35
Rot. Bonds3

About 1-[1-(cyclopropylmethyl)-3-(1H-indol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-(cyclopropylmethyl)-3-(1H-indol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 137250524) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-3-(1H-indol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-3-(1H-indol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID137250524
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-[1-(cyclopropylmethyl)-3-(1H-indol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3c[nH]c4ccccc34)nn2CC2CC2)C1
InChIInChI=1S/C20H22N4O/c1-13(25)23-9-8-19-17(12-23)20(22-24(19)11-14-6-7-14)16-10-21-18-5-3-2-4-15(16)18/h2-5,10,14,21H,6-9,11-12H2,1H3
InChIKeyRWGXTFKQGCEQMJ-UHFFFAOYSA-N
XLogP3.35
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
Chondriamide A
CID 6917436
Chondriamide C
CID 10336561
N-[2-(1H-Indol-3-yl)ethyl]-N-methylacetamide
CID 383154
(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-(6-propylpyridin-2-yl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide
CID 71559428
1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
CID 132186817
1-(4-{[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl}piperazin-1-yl)ethan-1-one
CID 135559055
1-[4-(1H-indol-3-yl)piperidino]ethan-1-one
CID 2728359
1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-pyrazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 11049209
N-[2-(2-methyl-8,9-dihydro-7H-cyclopenta[c]pyrazolo[1,5-a]pyridin-9-yl)ethyl]propanamide
CID 25025104
(2'S,3R)-2'-[3-[(E)-2-[6-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486217
N-[2-(2-methyl-8,9-dihydro-7H-cyclopenta[c]pyrazolo[1,5-a]pyridin-9-yl)ethyl]acetamide
CID 59145922

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-3-(1H-indol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-(cyclopropylmethyl)-3-(1H-indol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 137250524) is 1-[1-(cyclopropylmethyl)-3-(1H-indol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-3-(1H-indol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-3-(1H-indol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3c[nH]c4ccccc34)nn2CC2CC2)C1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-3-(1H-indol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is RWGXTFKQGCEQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-13(25)23-9-8-19-17(12-23)20(22-24(19)11-14-6-7-14)16-10-21-18-5-3-2-4-15(16)18/h2-5,10,14,21H,6-9,11-12H2,1H3.
What are the key properties of 1-[1-(cyclopropylmethyl)-3-(1H-indol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-(cyclopropylmethyl)-3-(1H-indol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 334.42 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-3-(1H-indol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 137250524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).