2-ethyl-8-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C19H24N4O2 — CID 70740637

IUPAC2-ethyl-8-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCCN(C(=O)c3cc4cccnc4[nH]3)C2)CCC1=O
InChIInChI=1S/C19H24N4O2/c1-2-22-12-19(8-6-16(22)24)7-4-10-23(13-19)18(25)15-11-14-5-3-9-20-17(14)21-15/h3,5,9,11H,2,4,6-8,10,12-13H2,1H3,(H,20,21)
InChIKeyLSRCFWHXIFBSDP-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.43
Rot. Bonds2

About 2-ethyl-8-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

2-ethyl-8-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70740637) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-ethyl-8-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-ethyl-8-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70740637
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-ethyl-8-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCCN(C(=O)c3cc4cccnc4[nH]3)C2)CCC1=O
InChIInChI=1S/C19H24N4O2/c1-2-22-12-19(8-6-16(22)24)7-4-10-23(13-19)18(25)15-11-14-5-3-9-20-17(14)21-15/h3,5,9,11H,2,4,6-8,10,12-13H2,1H3,(H,20,21)
InChIKeyLSRCFWHXIFBSDP-UHFFFAOYSA-N
XLogP2.43
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(6S)-2-ethyl-8-(2-pyridin-4-ylpyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95895738
2-ethyl-8-(3-phenylbenzoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 118792475
(6R)-2-ethyl-8-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96575497
8-(3-hydroxypyridine-2-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70775506
(6R)-8-(1H-imidazole-2-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97122794
(6R)-8-(2-ethoxypyridine-3-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97131052
(6R)-2-ethyl-8-[2-(2-hydroxyphenoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95881198
(6S)-8-[2-(benzylamino)acetyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 95880614
8-(2-ethoxypyridine-3-carbonyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70757089
2-(3-methylbutyl)-8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70714987
8-(6-methylpyridine-3-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-ethyl-8-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70740637) is 2-ethyl-8-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-ethyl-8-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-ethyl-8-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCCN(C(=O)c3cc4cccnc4[nH]3)C2)CCC1=O.
What is the InChIKey of 2-ethyl-8-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is LSRCFWHXIFBSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-22-12-19(8-6-16(22)24)7-4-10-23(13-19)18(25)15-11-14-5-3-9-20-17(14)21-15/h3,5,9,11H,2,4,6-8,10,12-13H2,1H3,(H,20,21).
What are the key properties of 2-ethyl-8-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-ethyl-8-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 340.43 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70740637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).