2-(1H-indol-3-yl)-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C22H25N7O — CID 91909458

IUPAC2-(1H-indol-3-yl)-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(C)n1cnnc1-c1nn(C)c2c1CN(C(=O)Cc1c[nH]c3ccccc13)CC2
InChIInChI=1S/C22H25N7O/c1-14(2)29-13-24-25-22(29)21-17-12-28(9-8-19(17)27(3)26-21)20(30)10-15-11-23-18-7-5-4-6-16(15)18/h4-7,11,13-14,23H,8-10,12H2,1-3H3
InChIKeyXGCBXWHXFHXHHI-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.87
Rot. Bonds4

About 2-(1H-indol-3-yl)-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

2-(1H-indol-3-yl)-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 91909458) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID91909458
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name2-(1H-indol-3-yl)-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(C)n1cnnc1-c1nn(C)c2c1CN(C(=O)Cc1c[nH]c3ccccc13)CC2
InChIInChI=1S/C22H25N7O/c1-14(2)29-13-24-25-22(29)21-17-12-28(9-8-19(17)27(3)26-21)20(30)10-15-11-23-18-7-5-4-6-16(15)18/h4-7,11,13-14,23H,8-10,12H2,1-3H3
InChIKeyXGCBXWHXFHXHHI-UHFFFAOYSA-N
XLogP2.87
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1H-indol-3-yl)-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 137255003
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(1H-indol-3-yl)ethanone
CID 63586100
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
2-(1H-indol-3-yl)-1-(7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 113089559
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
(2R)-4-[2-(1H-indol-3-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide
CID 124969435
3-(1H-indol-3-yl)-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
CID 50957558
2-(1H-indol-3-yl)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114390129
[3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone
CID 91909465
1-[(3S)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 124554934
1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-(1H-indol-3-yl)ethanone
CID 56778396
1-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1H-indol-3-yl)ethanone
CID 28707231

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 91909458) is 2-(1H-indol-3-yl)-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(C)n1cnnc1-c1nn(C)c2c1CN(C(=O)Cc1c[nH]c3ccccc13)CC2.
What is the InChIKey of 2-(1H-indol-3-yl)-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is XGCBXWHXFHXHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-14(2)29-13-24-25-22(29)21-17-12-28(9-8-19(17)27(3)26-21)20(30)10-15-11-23-18-7-5-4-6-16(15)18/h4-7,11,13-14,23H,8-10,12H2,1-3H3.
What are the key properties of 2-(1H-indol-3-yl)-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
2-(1H-indol-3-yl)-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 403.49 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 91909458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).