(7S)-5-[3-(1H-indol-3-yl)propanoyl]-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide

C25H26N6O2 — CID 92621214

IUPAC(7S)-5-[3-(1H-indol-3-yl)propanoyl]-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCn1cc2c(n1)[C@@H](C(=O)NCc1ccccn1)CN(C(=O)CCc1c[nH]c3ccccc13)C2
InChIInChI=1S/C25H26N6O2/c1-30-14-18-15-31(23(32)10-9-17-12-27-22-8-3-2-7-20(17)22)16-21(24(18)29-30)25(33)28-13-19-6-4-5-11-26-19/h2-8,11-12,14,21,27H,9-10,13,15-16H2,1H3,(H,28,33)/t21-/m0/s1
InChIKeyLKCAAFFEDVLGLL-NRFANRHFSA-N
MW442.52 g/mol
LogP2.67
Rot. Bonds6

About (7S)-5-[3-(1H-indol-3-yl)propanoyl]-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide

(7S)-5-[3-(1H-indol-3-yl)propanoyl]-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 92621214) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is (7S)-5-[3-(1H-indol-3-yl)propanoyl]-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name(7S)-5-[3-(1H-indol-3-yl)propanoyl]-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID92621214
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name(7S)-5-[3-(1H-indol-3-yl)propanoyl]-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCn1cc2c(n1)[C@@H](C(=O)NCc1ccccn1)CN(C(=O)CCc1c[nH]c3ccccc13)C2
InChIInChI=1S/C25H26N6O2/c1-30-14-18-15-31(23(32)10-9-17-12-27-22-8-3-2-7-20(17)22)16-21(24(18)29-30)25(33)28-13-19-6-4-5-11-26-19/h2-8,11-12,14,21,27H,9-10,13,15-16H2,1H3,(H,28,33)/t21-/m0/s1
InChIKeyLKCAAFFEDVLGLL-NRFANRHFSA-N
XLogP2.67
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (7S)-5-[3-(1H-indol-3-yl)propanoyl]-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide with MolForge

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Related Compounds

(7R)-5-[3-(4-methoxyphenyl)propanoyl]-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 92618718
5-[2-(4-methoxyphenyl)acetyl]-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 110248145
(7R)-5-(cyclopentanecarbonyl)-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 95806124
(7R)-5-[3-(4-fluorophenyl)propanoyl]-N-(2-methoxyphenyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 95806138
(1S,5S,6R,7S)-3-[2-(1H-indol-3-yl)ethyl]-4-oxo-N-(pyridin-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 99885276
(7S)-5-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 129360920
1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888669
3-(1H-indol-3-yl)-1-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
CID 110102712
3-(1H-indol-3-yl)-1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 110115033
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 103900607
1-(3,6-dihydro-2H-pyridin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 115969994
3-(1H-indol-3-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 49346210

Frequently Asked Questions

What is the IUPAC name of (7S)-5-[3-(1H-indol-3-yl)propanoyl]-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of (7S)-5-[3-(1H-indol-3-yl)propanoyl]-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (CID 92621214) is (7S)-5-[3-(1H-indol-3-yl)propanoyl]-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for (7S)-5-[3-(1H-indol-3-yl)propanoyl]-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for (7S)-5-[3-(1H-indol-3-yl)propanoyl]-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is Cn1cc2c(n1)[C@@H](C(=O)NCc1ccccn1)CN(C(=O)CCc1c[nH]c3ccccc13)C2.
What is the InChIKey of (7S)-5-[3-(1H-indol-3-yl)propanoyl]-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is LKCAAFFEDVLGLL-NRFANRHFSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-30-14-18-15-31(23(32)10-9-17-12-27-22-8-3-2-7-20(17)22)16-21(24(18)29-30)25(33)28-13-19-6-4-5-11-26-19/h2-8,11-12,14,21,27H,9-10,13,15-16H2,1H3,(H,28,33)/t21-/m0/s1.
What are the key properties of (7S)-5-[3-(1H-indol-3-yl)propanoyl]-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
(7S)-5-[3-(1H-indol-3-yl)propanoyl]-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-[3-(1H-indol-3-yl)propanoyl]-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 92621214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).