(1-methylindol-3-yl)-(3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)methanone

C22H24N4O — CID 75258654

IUPAC(1-methylindol-3-yl)-(3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)methanone
SMILESCn1cc(C(=O)N2CCC3NNC(c4ccccc4)C3C2)c2ccccc21
InChIInChI=1S/C22H24N4O/c1-25-13-17(16-9-5-6-10-20(16)25)22(27)26-12-11-19-18(14-26)21(24-23-19)15-7-3-2-4-8-15/h2-10,13,18-19,21,23-24H,11-12,14H2,1H3
InChIKeyHGCJHKMYXZIAMD-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.86
Rot. Bonds2

About (1-methylindol-3-yl)-(3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)methanone

(1-methylindol-3-yl)-(3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)methanone (PubChem CID 75258654) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is (1-methylindol-3-yl)-(3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(1-methylindol-3-yl)-(3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)methanone
PubChem CID75258654
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name(1-methylindol-3-yl)-(3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)methanone
SMILESCn1cc(C(=O)N2CCC3NNC(c4ccccc4)C3C2)c2ccccc21
InChIInChI=1S/C22H24N4O/c1-25-13-17(16-9-5-6-10-20(16)25)22(27)26-12-11-19-18(14-26)21(24-23-19)15-7-3-2-4-8-15/h2-10,13,18-19,21,23-24H,11-12,14H2,1H3
InChIKeyHGCJHKMYXZIAMD-UHFFFAOYSA-N
XLogP2.86
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
CID 166081487
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(1-methylindol-3-yl)methanone
CID 9225632
(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(1-methylindol-3-yl)methanone
CID 29088018
(4S,5R)-4-methyl-3-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
CID 23733118
(1-methylindol-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118777346
(1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605867
N-methyl-3-[1-(1-methylindole-3-carbonyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 110255948
(1-methylindol-3-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 127247491
1-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805536

Frequently Asked Questions

What is the IUPAC name of (1-methylindol-3-yl)-(3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
The IUPAC name of (1-methylindol-3-yl)-(3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)methanone (CID 75258654) is (1-methylindol-3-yl)-(3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)methanone.
What is the SMILES notation for (1-methylindol-3-yl)-(3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
The canonical SMILES for (1-methylindol-3-yl)-(3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)methanone is Cn1cc(C(=O)N2CCC3NNC(c4ccccc4)C3C2)c2ccccc21.
What is the InChIKey of (1-methylindol-3-yl)-(3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
The InChIKey is HGCJHKMYXZIAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-25-13-17(16-9-5-6-10-20(16)25)22(27)26-12-11-19-18(14-26)21(24-23-19)15-7-3-2-4-8-15/h2-10,13,18-19,21,23-24H,11-12,14H2,1H3.
What are the key properties of (1-methylindol-3-yl)-(3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
(1-methylindol-3-yl)-(3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-3-yl)-(3-phenyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)methanone is sourced from PubChem (CID 75258654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).