2-(furan-2-carbonyl)-4-pyridin-3-yl-9-(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one

C22H21N3O4S — CID 131672412

IUPAC2-(furan-2-carbonyl)-4-pyridin-3-yl-9-(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
SMILESO=C(c1ccco1)N1CC(c2cccnc2)C2(C1)OCCN(Cc1ccsc1)C2=O
InChIInChI=1S/C22H21N3O4S/c26-20(19-4-2-8-28-19)25-13-18(17-3-1-6-23-11-17)22(15-25)21(27)24(7-9-29-22)12-16-5-10-30-14-16/h1-6,8,10-11,14,18H,7,9,12-13,15H2
InChIKeyPCGRDNGJVDCCCK-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.77
Rot. Bonds4

About 2-(furan-2-carbonyl)-4-pyridin-3-yl-9-(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one

2-(furan-2-carbonyl)-4-pyridin-3-yl-9-(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one (PubChem CID 131672412) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-(furan-2-carbonyl)-4-pyridin-3-yl-9-(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name2-(furan-2-carbonyl)-4-pyridin-3-yl-9-(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
PubChem CID131672412
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC Name2-(furan-2-carbonyl)-4-pyridin-3-yl-9-(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
SMILESO=C(c1ccco1)N1CC(c2cccnc2)C2(C1)OCCN(Cc1ccsc1)C2=O
InChIInChI=1S/C22H21N3O4S/c26-20(19-4-2-8-28-19)25-13-18(17-3-1-6-23-11-17)22(15-25)21(27)24(7-9-29-22)12-16-5-10-30-14-16/h1-6,8,10-11,14,18H,7,9,12-13,15H2
InChIKeyPCGRDNGJVDCCCK-UHFFFAOYSA-N
XLogP2.77
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(furan-2-carbonyl)-4-pyridin-3-yl-9-(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one with MolForge

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Launch Full Analysis

Related Compounds

N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide
CID 167098838
2-(2-Furoylamino)-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1033230
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 650746
Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211640
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-4-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211832
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-3-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211853
Ethyl 1-[[2-(2-furoylamino)-4,5-dimethylthien-3-yl](pyridin-3-yl)methyl]piperidine-4-carboxylate
CID 3245442
N-{4,5-dimethyl-3-[(4-methylpiperazin-1-yl)(pyridin-3-yl)methyl]thiophen-2-yl}furan-2-carboxamide
CID 3561847
N-{4,5-dimethyl-3-[(4-methylpiperidin-1-yl)(pyridin-3-yl)methyl]thiophen-2-yl}furan-2-carboxamide
CID 3875781
N-{3-[(4-ethylpiperazin-1-yl)(pyridin-3-yl)methyl]-4,5-dimethylthiophen-2-yl}furan-2-carboxamide
CID 4586044
N-{3-[[4-(2-hydroxyethyl)piperazin-1-yl](pyridin-3-yl)methyl]-4,5-dimethylthien-2-yl}-2-furamide
CID 4586270
ALP-POS-b0bc6a46-7
CID 156906937

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonyl)-4-pyridin-3-yl-9-(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 2-(furan-2-carbonyl)-4-pyridin-3-yl-9-(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one (CID 131672412) is 2-(furan-2-carbonyl)-4-pyridin-3-yl-9-(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 2-(furan-2-carbonyl)-4-pyridin-3-yl-9-(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 2-(furan-2-carbonyl)-4-pyridin-3-yl-9-(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one is O=C(c1ccco1)N1CC(c2cccnc2)C2(C1)OCCN(Cc1ccsc1)C2=O.
What is the InChIKey of 2-(furan-2-carbonyl)-4-pyridin-3-yl-9-(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
The InChIKey is PCGRDNGJVDCCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c26-20(19-4-2-8-28-19)25-13-18(17-3-1-6-23-11-17)22(15-25)21(27)24(7-9-29-22)12-16-5-10-30-14-16/h1-6,8,10-11,14,18H,7,9,12-13,15H2.
What are the key properties of 2-(furan-2-carbonyl)-4-pyridin-3-yl-9-(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
2-(furan-2-carbonyl)-4-pyridin-3-yl-9-(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one has a molecular weight of 423.49 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-carbonyl)-4-pyridin-3-yl-9-(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 131672412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).