2,3-dihydroindol-1-yl-[1-(5,6-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanone

C19H22N4O — CID 172901325

IUPAC2,3-dihydroindol-1-yl-[1-(5,6-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanone
SMILESCc1cc(N2CCC(C(=O)N3CCc4ccccc43)C2)nnc1C
InChIInChI=1S/C19H22N4O/c1-13-11-18(21-20-14(13)2)22-9-7-16(12-22)19(24)23-10-8-15-5-3-4-6-17(15)23/h3-6,11,16H,7-10,12H2,1-2H3
InChIKeyHYGKDJZDMJEPEI-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.51
Rot. Bonds2

About 2,3-dihydroindol-1-yl-[1-(5,6-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanone

2,3-dihydroindol-1-yl-[1-(5,6-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanone (PubChem CID 172901325) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-(5,6-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-(5,6-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanone
PubChem CID172901325
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2,3-dihydroindol-1-yl-[1-(5,6-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanone
SMILESCc1cc(N2CCC(C(=O)N3CCc4ccccc43)C2)nnc1C
InChIInChI=1S/C19H22N4O/c1-13-11-18(21-20-14(13)2)22-9-7-16(12-22)19(24)23-10-8-15-5-3-4-6-17(15)23/h3-6,11,16H,7-10,12H2,1-2H3
InChIKeyHYGKDJZDMJEPEI-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902056
2,3-dihydroindol-1-yl-[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methanone
CID 172901641
2,3-dihydroindol-1-yl-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 30363670
2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone
CID 172901505
2,3-dihydroindol-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 133298996
2,3-dihydroindol-1-yl-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone
CID 172891774
2,3-dihydroindol-1-yl-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone
CID 172902407
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902388
[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172891749
2,3-dihydroindol-1-yl-[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanone
CID 167985381
2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methanone
CID 172901645

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-(5,6-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-(5,6-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanone (CID 172901325) is 2,3-dihydroindol-1-yl-[1-(5,6-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-(5,6-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-(5,6-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanone is Cc1cc(N2CCC(C(=O)N3CCc4ccccc43)C2)nnc1C.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-(5,6-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanone?
The InChIKey is HYGKDJZDMJEPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-11-18(21-20-14(13)2)22-9-7-16(12-22)19(24)23-10-8-15-5-3-4-6-17(15)23/h3-6,11,16H,7-10,12H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[1-(5,6-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanone?
2,3-dihydroindol-1-yl-[1-(5,6-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanone has a molecular weight of 322.41 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[1-(5,6-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 172901325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).