(5S)-9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C17H21N5O3 — CID 95724622

IUPAC(5S)-9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCn1c(CCC(=O)N2CCC[C@]3(CNC(=O)O3)C2)nc2cccnc21
InChIInChI=1S/C17H21N5O3/c1-21-13(20-12-4-2-8-18-15(12)21)5-6-14(23)22-9-3-7-17(11-22)10-19-16(24)25-17/h2,4,8H,3,5-7,9-11H2,1H3,(H,19,24)/t17-/m0/s1
InChIKeyLHEGBENWFINHGM-KRWDZBQOSA-N
MW343.39 g/mol
LogP1.00
Rot. Bonds3

About (5S)-9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5S)-9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 95724622) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is (5S)-9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S)-9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID95724622
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name(5S)-9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCn1c(CCC(=O)N2CCC[C@]3(CNC(=O)O3)C2)nc2cccnc21
InChIInChI=1S/C17H21N5O3/c1-21-13(20-12-4-2-8-18-15(12)21)5-6-14(23)22-9-3-7-17(11-22)10-19-16(24)25-17/h2,4,8H,3,5-7,9-11H2,1H3,(H,19,24)/t17-/m0/s1
InChIKeyLHEGBENWFINHGM-KRWDZBQOSA-N
XLogP1.00
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-9-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95725555
9-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56896758
(5R)-9-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95720663
9-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56906703
(5R)-9-[3-(1H-benzimidazol-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95720370
(5S)-9-[3-(1H-benzimidazol-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95720371
5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic acid
CID 63757796
(5R)-9-[2-(3,4-dichlorophenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95713114
4-[[(3S)-1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid
CID 95862686
3-(3-phenylimidazo[4,5-b]pyridin-2-yl)-1-piperidin-1-ylpropan-1-one
CID 6622705
9-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 155508952
9-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 77095524

Frequently Asked Questions

What is the IUPAC name of (5S)-9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S)-9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 95724622) is (5S)-9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S)-9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S)-9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is Cn1c(CCC(=O)N2CCC[C@]3(CNC(=O)O3)C2)nc2cccnc21.
What is the InChIKey of (5S)-9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is LHEGBENWFINHGM-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-21-13(20-12-4-2-8-18-15(12)21)5-6-14(23)22-9-3-7-17(11-22)10-19-16(24)25-17/h2,4,8H,3,5-7,9-11H2,1H3,(H,19,24)/t17-/m0/s1.
What are the key properties of (5S)-9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5S)-9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 343.39 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95724622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).