(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone

C17H22N4O — CID 127778414

IUPAC(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
SMILESCN1CCCC12CCN(C(=O)c1ccc3cc[nH]c3n1)CC2
InChIInChI=1S/C17H22N4O/c1-20-10-2-6-17(20)7-11-21(12-8-17)16(22)14-4-3-13-5-9-18-15(13)19-14/h3-5,9H,2,6-8,10-12H2,1H3,(H,18,19)
InChIKeyDANWFHZBFMGJGE-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.26
Rot. Bonds1

About (1-methyl-1,8-diazaspiro[4.5]decan-8-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone

(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone (PubChem CID 127778414) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (1-methyl-1,8-diazaspiro[4.5]decan-8-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
PubChem CID127778414
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
SMILESCN1CCCC12CCN(C(=O)c1ccc3cc[nH]c3n1)CC2
InChIInChI=1S/C17H22N4O/c1-20-10-2-6-17(20)7-11-21(12-8-17)16(22)14-4-3-13-5-9-18-15(13)19-14/h3-5,9H,2,6-8,10-12H2,1H3,(H,18,19)
InChIKeyDANWFHZBFMGJGE-UHFFFAOYSA-N
XLogP2.26
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-pyrrolo[2,3-b]pyridin-6-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 157016726
(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 127777972
N-methyl-2-[1-(1H-pyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]acetamide
CID 127776962
(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 163305444
[(5R)-1-methyl-1,9-diazaspiro[4.5]decan-9-yl]-quinolin-2-ylmethanone
CID 97393407
[4-(4-methylphenoxy)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 127778121
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 163318268
1-(1H-pyrrolo[2,3-b]pyridin-6-yl)ethanone
CID 71743048
1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 167748233
N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
CID 166222428
[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 127778417
4-(1-methyl-1,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonyl fluoride;hydrochloride
CID 167917016

Frequently Asked Questions

What is the IUPAC name of (1-methyl-1,8-diazaspiro[4.5]decan-8-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone?
The IUPAC name of (1-methyl-1,8-diazaspiro[4.5]decan-8-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone (CID 127778414) is (1-methyl-1,8-diazaspiro[4.5]decan-8-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone.
What is the SMILES notation for (1-methyl-1,8-diazaspiro[4.5]decan-8-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone?
The canonical SMILES for (1-methyl-1,8-diazaspiro[4.5]decan-8-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone is CN1CCCC12CCN(C(=O)c1ccc3cc[nH]c3n1)CC2.
What is the InChIKey of (1-methyl-1,8-diazaspiro[4.5]decan-8-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone?
The InChIKey is DANWFHZBFMGJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-20-10-2-6-17(20)7-11-21(12-8-17)16(22)14-4-3-13-5-9-18-15(13)19-14/h3-5,9H,2,6-8,10-12H2,1H3,(H,18,19).
What are the key properties of (1-methyl-1,8-diazaspiro[4.5]decan-8-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone?
(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-1,8-diazaspiro[4.5]decan-8-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone is sourced from PubChem (CID 127778414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).