(5S)-7-methyl-2-(1H-pyrrolo[2,3-b]pyridin-6-yl)-2,7-diazaspiro[4.5]decan-6-one

C16H20N4O — CID 95715580

IUPAC(5S)-7-methyl-2-(1H-pyrrolo[2,3-b]pyridin-6-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCC[C@@]2(CCN(c3ccc4cc[nH]c4n3)C2)C1=O
InChIInChI=1S/C16H20N4O/c1-19-9-2-6-16(15(19)21)7-10-20(11-16)13-4-3-12-5-8-17-14(12)18-13/h3-5,8H,2,6-7,9-11H2,1H3,(H,17,18)/t16-/m0/s1
InChIKeyWIGQNNFYILKPAQ-INIZCTEOSA-N
MW284.36 g/mol
LogP2.01
Rot. Bonds1

About (5S)-7-methyl-2-(1H-pyrrolo[2,3-b]pyridin-6-yl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-methyl-2-(1H-pyrrolo[2,3-b]pyridin-6-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 95715580) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (5S)-7-methyl-2-(1H-pyrrolo[2,3-b]pyridin-6-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-methyl-2-(1H-pyrrolo[2,3-b]pyridin-6-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID95715580
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(5S)-7-methyl-2-(1H-pyrrolo[2,3-b]pyridin-6-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCC[C@@]2(CCN(c3ccc4cc[nH]c4n3)C2)C1=O
InChIInChI=1S/C16H20N4O/c1-19-9-2-6-16(15(19)21)7-10-20(11-16)13-4-3-12-5-8-17-14(12)18-13/h3-5,8H,2,6-7,9-11H2,1H3,(H,17,18)/t16-/m0/s1
InChIKeyWIGQNNFYILKPAQ-INIZCTEOSA-N
XLogP2.01
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S)-7-methyl-2-(1H-pyrrolo[2,3-b]pyridin-6-yl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

7-methyl-2-quinolin-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 72881477
6-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-2-carbonitrile
CID 97155364
(5S)-7-methyl-2-quinoxalin-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97142246
(5R)-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97155022
2-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile
CID 95189412
2-methyl-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155842713
(5R)-2-(2-amino-6-thiophen-2-ylsulfanylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97200755
(5R)-7-methyl-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97210264
(2S,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine
CID 56888603
2-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70713165
(5S)-2-(5-acetyl-4-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97191427
(5S)-2,7-dimethyl-2,7-diazaspiro[4.5]decan-6-one;ethane;methane
CID 161052527

Frequently Asked Questions

What is the IUPAC name of (5S)-7-methyl-2-(1H-pyrrolo[2,3-b]pyridin-6-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-methyl-2-(1H-pyrrolo[2,3-b]pyridin-6-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 95715580) is (5S)-7-methyl-2-(1H-pyrrolo[2,3-b]pyridin-6-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-methyl-2-(1H-pyrrolo[2,3-b]pyridin-6-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-methyl-2-(1H-pyrrolo[2,3-b]pyridin-6-yl)-2,7-diazaspiro[4.5]decan-6-one is CN1CCC[C@@]2(CCN(c3ccc4cc[nH]c4n3)C2)C1=O.
What is the InChIKey of (5S)-7-methyl-2-(1H-pyrrolo[2,3-b]pyridin-6-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is WIGQNNFYILKPAQ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20N4O/c1-19-9-2-6-16(15(19)21)7-10-20(11-16)13-4-3-12-5-8-17-14(12)18-13/h3-5,8H,2,6-7,9-11H2,1H3,(H,17,18)/t16-/m0/s1.
What are the key properties of (5S)-7-methyl-2-(1H-pyrrolo[2,3-b]pyridin-6-yl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-methyl-2-(1H-pyrrolo[2,3-b]pyridin-6-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 284.36 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-methyl-2-(1H-pyrrolo[2,3-b]pyridin-6-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 95715580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).