2,3-dihydroindol-1-yl-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]methanone

C23H27N3O2 — CID 127597666

IUPAC2,3-dihydroindol-1-yl-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]methanone
SMILESO=C(c1ccc(NC2CCOC3(CCCC3)C2)nc1)N1CCc2ccccc21
InChIInChI=1S/C23H27N3O2/c27-22(26-13-9-17-5-1-2-6-20(17)26)18-7-8-21(24-16-18)25-19-10-14-28-23(15-19)11-3-4-12-23/h1-2,5-8,16,19H,3-4,9-15H2,(H,24,25)
InChIKeyRRRZMSWAADSZJN-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.19
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]methanone

2,3-dihydroindol-1-yl-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]methanone (PubChem CID 127597666) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]methanone
PubChem CID127597666
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2,3-dihydroindol-1-yl-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]methanone
SMILESO=C(c1ccc(NC2CCOC3(CCCC3)C2)nc1)N1CCc2ccccc21
InChIInChI=1S/C23H27N3O2/c27-22(26-13-9-17-5-1-2-6-20(17)26)18-7-8-21(24-16-18)25-19-10-14-28-23(15-19)11-3-4-12-23/h1-2,5-8,16,19H,3-4,9-15H2,(H,24,25)
InChIKeyRRRZMSWAADSZJN-UHFFFAOYSA-N
XLogP4.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[6-(1-oxaspiro[5.5]undecan-4-ylamino)-3-pyridinyl]methanone
CID 133378058
2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone
CID 97017175
1-cyclopropyl-4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-2-one
CID 133357440
N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109162452
[6-[[cyclopropyl(phenyl)methyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133331613
2,3-dihydroindol-1-yl-[6-[2-(3-methylmorpholin-4-yl)propylamino]-3-pyridinyl]methanone
CID 133302712
2,3-dihydroindol-1-yl-[6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone
CID 133376182
2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252576
2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone
CID 133439711
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)-3-pyridinyl]methanone
CID 62172128
2,3-dihydroindol-1-yl-[6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]methanone
CID 133357945
[5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109223844

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]methanone (CID 127597666) is 2,3-dihydroindol-1-yl-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]methanone is O=C(c1ccc(NC2CCOC3(CCCC3)C2)nc1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]methanone?
The InChIKey is RRRZMSWAADSZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22(26-13-9-17-5-1-2-6-20(17)26)18-7-8-21(24-16-18)25-19-10-14-28-23(15-19)11-3-4-12-23/h1-2,5-8,16,19H,3-4,9-15H2,(H,24,25).
What are the key properties of 2,3-dihydroindol-1-yl-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]methanone has a molecular weight of 377.49 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 127597666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).