1-[3-[4-(2,4-dioxo-3-propan-2-yl-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-6-methylthieno[2,3-b]pyridin-2-yl]-3-ethylurea

C27H36N6O5S — CID 59279807

IUPAC1-[3-[4-(2,4-dioxo-3-propan-2-yl-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-6-methylthieno[2,3-b]pyridin-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(N2CCCC3(C2)OC(=O)N(C(C)C)C3=O)CC1
InChIInChI=1S/C27H36N6O5S/c1-5-28-25(36)30-22-20(19-8-7-17(4)29-21(19)39-22)23(34)31-13-9-18(10-14-31)32-12-6-11-27(15-32)24(35)33(16(2)3)26(37)38-27/h7-8,16,18H,5-6,9-15H2,1-4H3,(H2,28,30,36)
InChIKeyFUUOXSZQIOKPPS-UHFFFAOYSA-N
MW556.69 g/mol
LogP3.57
Rot. Bonds5

About 1-[3-[4-(2,4-dioxo-3-propan-2-yl-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-6-methylthieno[2,3-b]pyridin-2-yl]-3-ethylurea

1-[3-[4-(2,4-dioxo-3-propan-2-yl-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-6-methylthieno[2,3-b]pyridin-2-yl]-3-ethylurea (PubChem CID 59279807) has the molecular formula C27H36N6O5S and a molecular weight of 556.69 g/mol. Its IUPAC name is 1-[3-[4-(2,4-dioxo-3-propan-2-yl-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-6-methylthieno[2,3-b]pyridin-2-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[3-[4-(2,4-dioxo-3-propan-2-yl-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-6-methylthieno[2,3-b]pyridin-2-yl]-3-ethylurea
PubChem CID59279807
Molecular FormulaC27H36N6O5S
Molecular Weight556.69 g/mol
Exact Mass556.25
IUPAC Name1-[3-[4-(2,4-dioxo-3-propan-2-yl-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-6-methylthieno[2,3-b]pyridin-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(N2CCCC3(C2)OC(=O)N(C(C)C)C3=O)CC1
InChIInChI=1S/C27H36N6O5S/c1-5-28-25(36)30-22-20(19-8-7-17(4)29-21(19)39-22)23(34)31-13-9-18(10-14-31)32-12-6-11-27(15-32)24(35)33(16(2)3)26(37)38-27/h7-8,16,18H,5-6,9-15H2,1-4H3,(H2,28,30,36)
InChIKeyFUUOXSZQIOKPPS-UHFFFAOYSA-N
XLogP3.57
TPSA124.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.69
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[3-[4-(2,4-dioxo-3-propan-2-yl-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-6-methylthieno[2,3-b]pyridin-2-yl]-3-ethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2,4-dioxo-3-propan-2-yl-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-6-methylthieno[2,3-b]pyridin-2-yl]-3-ethylurea?
The IUPAC name of 1-[3-[4-(2,4-dioxo-3-propan-2-yl-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-6-methylthieno[2,3-b]pyridin-2-yl]-3-ethylurea (CID 59279807) is 1-[3-[4-(2,4-dioxo-3-propan-2-yl-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-6-methylthieno[2,3-b]pyridin-2-yl]-3-ethylurea.
What is the SMILES notation for 1-[3-[4-(2,4-dioxo-3-propan-2-yl-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-6-methylthieno[2,3-b]pyridin-2-yl]-3-ethylurea?
The canonical SMILES for 1-[3-[4-(2,4-dioxo-3-propan-2-yl-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-6-methylthieno[2,3-b]pyridin-2-yl]-3-ethylurea is CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(N2CCCC3(C2)OC(=O)N(C(C)C)C3=O)CC1.
What is the InChIKey of 1-[3-[4-(2,4-dioxo-3-propan-2-yl-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-6-methylthieno[2,3-b]pyridin-2-yl]-3-ethylurea?
The InChIKey is FUUOXSZQIOKPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O5S/c1-5-28-25(36)30-22-20(19-8-7-17(4)29-21(19)39-22)23(34)31-13-9-18(10-14-31)32-12-6-11-27(15-32)24(35)33(16(2)3)26(37)38-27/h7-8,16,18H,5-6,9-15H2,1-4H3,(H2,28,30,36).
What are the key properties of 1-[3-[4-(2,4-dioxo-3-propan-2-yl-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-6-methylthieno[2,3-b]pyridin-2-yl]-3-ethylurea?
1-[3-[4-(2,4-dioxo-3-propan-2-yl-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-6-methylthieno[2,3-b]pyridin-2-yl]-3-ethylurea has a molecular weight of 556.69 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2,4-dioxo-3-propan-2-yl-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-6-methylthieno[2,3-b]pyridin-2-yl]-3-ethylurea is sourced from PubChem (CID 59279807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).