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

C28H32N6O2 — CID 26138987

IUPAC5-[2-(2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1[nH]c2ccccc2c1CC(=O)N1CCc2c(c(C(=O)NCc3cccnc3)nn2CC(C)C)C1
InChIInChI=1S/C28H32N6O2/c1-18(2)16-34-25-10-12-33(26(35)13-22-19(3)31-24-9-5-4-8-21(22)24)17-23(25)27(32-34)28(36)30-15-20-7-6-11-29-14-20/h4-9,11,14,18,31H,10,12-13,15-17H2,1-3H3,(H,30,36)
InChIKeyCMDPPEICEPGBOM-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.78
Rot. Bonds7

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

5-[2-(2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26138987) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 5-[2-(2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26138987
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC Name5-[2-(2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1[nH]c2ccccc2c1CC(=O)N1CCc2c(c(C(=O)NCc3cccnc3)nn2CC(C)C)C1
InChIInChI=1S/C28H32N6O2/c1-18(2)16-34-25-10-12-33(26(35)13-22-19(3)31-24-9-5-4-8-21(22)24)17-23(25)27(32-34)28(36)30-15-20-7-6-11-29-14-20/h4-9,11,14,18,31H,10,12-13,15-17H2,1-3H3,(H,30,36)
InChIKeyCMDPPEICEPGBOM-UHFFFAOYSA-N
XLogP3.78
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26138987) is 5-[2-(2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cc1[nH]c2ccccc2c1CC(=O)N1CCc2c(c(C(=O)NCc3cccnc3)nn2CC(C)C)C1.
What is the InChIKey of 5-[2-(2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is CMDPPEICEPGBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-18(2)16-34-25-10-12-33(26(35)13-22-19(3)31-24-9-5-4-8-21(22)24)17-23(25)27(32-34)28(36)30-15-20-7-6-11-29-14-20/h4-9,11,14,18,31H,10,12-13,15-17H2,1-3H3,(H,30,36).
What are the key properties of 5-[2-(2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-[2-(2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methyl-1H-indol-3-yl)acetyl]-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26138987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).