5-(1H-indole-2-carbonyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C24H30N6O3 — CID 26229552

IUPAC5-(1H-indole-2-carbonyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCCCN2CCOCC2)c2c1CCN(C(=O)c1cc3ccccc3[nH]1)C2
InChIInChI=1S/C24H30N6O3/c1-28-21-7-10-30(24(32)20-15-17-5-2-3-6-19(17)26-20)16-18(21)22(27-28)23(31)25-8-4-9-29-11-13-33-14-12-29/h2-3,5-6,15,26H,4,7-14,16H2,1H3,(H,25,31)
InChIKeyHAOVSEJIQQQROU-UHFFFAOYSA-N
MW450.54 g/mol
LogP1.55
Rot. Bonds6

About 5-(1H-indole-2-carbonyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

5-(1H-indole-2-carbonyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26229552) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 5-(1H-indole-2-carbonyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1H-indole-2-carbonyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26229552
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name5-(1H-indole-2-carbonyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCCCN2CCOCC2)c2c1CCN(C(=O)c1cc3ccccc3[nH]1)C2
InChIInChI=1S/C24H30N6O3/c1-28-21-7-10-30(24(32)20-15-17-5-2-3-6-19(17)26-20)16-18(21)22(27-28)23(31)25-8-4-9-29-11-13-33-14-12-29/h2-3,5-6,15,26H,4,7-14,16H2,1H3,(H,25,31)
InChIKeyHAOVSEJIQQQROU-UHFFFAOYSA-N
XLogP1.55
TPSA95.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Granisetron (JAN/USAN/INN)
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3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-(2-morpholinoethyl)-1H-pyrazole-5-carboxamide
CID 15958787
1-(4-benzoylpiperazin-1-yl)-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958907
1-(4-benzoylpiperazin-1-yl)-2-(7-pyrazol-1-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 15958910
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958913
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(3-methylpyrazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958914
3-[5-(Morpholin-4-ylmethyl)-1h-indol-2-yl]-1h-indazole-6-carboxamide
CID 135559056
N-methyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide
CID 135559057
3-(Indol-2-yl)indazole 10
CID 135559058
N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;dihydrochloride
CID 21252891

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indole-2-carbonyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(1H-indole-2-carbonyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26229552) is 5-(1H-indole-2-carbonyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(1H-indole-2-carbonyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(1H-indole-2-carbonyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nc(C(=O)NCCCN2CCOCC2)c2c1CCN(C(=O)c1cc3ccccc3[nH]1)C2.
What is the InChIKey of 5-(1H-indole-2-carbonyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is HAOVSEJIQQQROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-28-21-7-10-30(24(32)20-15-17-5-2-3-6-19(17)26-20)16-18(21)22(27-28)23(31)25-8-4-9-29-11-13-33-14-12-29/h2-3,5-6,15,26H,4,7-14,16H2,1H3,(H,25,31).
What are the key properties of 5-(1H-indole-2-carbonyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-(1H-indole-2-carbonyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indole-2-carbonyl)-1-methyl-N-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26229552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).