ethyl 3-[ethoxycarbonyl-[(2S,4S)-2-ethyloxan-4-yl]amino]-5-(2H-pyrrol-4-yl)furo[2,3-c]pyridine-2-carboxylate

C24H29N3O6 — CID 159267100

IUPACethyl 3-[ethoxycarbonyl-[(2S,4S)-2-ethyloxan-4-yl]amino]-5-(2H-pyrrol-4-yl)furo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2cnc(C3=CCN=C3)cc2c1N(C(=O)OCC)[C@H]1CCO[C@@H](CC)C1
InChIInChI=1S/C24H29N3O6/c1-4-17-11-16(8-10-32-17)27(24(29)31-6-3)21-18-12-19(15-7-9-25-13-15)26-14-20(18)33-22(21)23(28)30-5-2/h7,12-14,16-17H,4-6,8-11H2,1-3H3/t16-,17-/m0/s1
InChIKeyVSFHDXOPVDNLEF-IRXDYDNUSA-N
MW455.51 g/mol
LogP4.39
Rot. Bonds7

About ethyl 3-[ethoxycarbonyl-[(2S,4S)-2-ethyloxan-4-yl]amino]-5-(2H-pyrrol-4-yl)furo[2,3-c]pyridine-2-carboxylate

ethyl 3-[ethoxycarbonyl-[(2S,4S)-2-ethyloxan-4-yl]amino]-5-(2H-pyrrol-4-yl)furo[2,3-c]pyridine-2-carboxylate (PubChem CID 159267100) has the molecular formula C24H29N3O6 and a molecular weight of 455.51 g/mol. Its IUPAC name is ethyl 3-[ethoxycarbonyl-[(2S,4S)-2-ethyloxan-4-yl]amino]-5-(2H-pyrrol-4-yl)furo[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[ethoxycarbonyl-[(2S,4S)-2-ethyloxan-4-yl]amino]-5-(2H-pyrrol-4-yl)furo[2,3-c]pyridine-2-carboxylate
PubChem CID159267100
Molecular FormulaC24H29N3O6
Molecular Weight455.51 g/mol
Exact Mass455.21
IUPAC Nameethyl 3-[ethoxycarbonyl-[(2S,4S)-2-ethyloxan-4-yl]amino]-5-(2H-pyrrol-4-yl)furo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2cnc(C3=CCN=C3)cc2c1N(C(=O)OCC)[C@H]1CCO[C@@H](CC)C1
InChIInChI=1S/C24H29N3O6/c1-4-17-11-16(8-10-32-17)27(24(29)31-6-3)21-18-12-19(15-7-9-25-13-15)26-14-20(18)33-22(21)23(28)30-5-2/h7,12-14,16-17H,4-6,8-11H2,1-3H3/t16-,17-/m0/s1
InChIKeyVSFHDXOPVDNLEF-IRXDYDNUSA-N
XLogP4.39
TPSA103.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 3-[ethoxycarbonyl-[(2S,4S)-2-ethyloxan-4-yl]amino]-5-(2H-pyrrol-4-yl)furo[2,3-c]pyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 5-bromo-3-[ethoxycarbonyl-[(2S)-2-ethyloxan-4-yl]amino]furo[2,3-c]pyridine-2-carboxylate
CID 126729706
ethyl N-[(2S)-2-ethyloxan-4-yl]-N-[2-(1-methylpyrazole-4-carbonyl)-5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-3-yl]carbamate
CID 126729708
ethyl N-(2-ethyloxan-4-yl)-N-[2-[methoxy(methyl)carbamoyl]-6-methyl-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-3-yl]carbamate
CID 123333267
ethyl N-[(2S,4S)-2-ethyloxan-4-yl]-N-methylcarbamate
CID 126729772
ethyl N-[(2R,4R)-2-ethyloxan-4-yl]-N-[5-ethynyl-2-(methoxymethylcarbamoyl)furo[3,2-b]pyridin-3-yl]carbamate
CID 125499088
ethyl 5-bromo-3-[ethoxycarbonyl-[2-(oxolan-2-yl)ethyl]amino]furo[2,3-b]pyridine-2-carboxylate
CID 78128987
ethyl 5-[5-(1,3-diiminopropan-2-yl)-2-(1-methylpyrazole-4-carbonyl)furo[2,3-c]pyridin-3-yl]-4-(2-ethyloxan-4-yl)pentanoate
CID 123918174
N-(2-chloro-5-methyl-4-pyridinyl)-N-(oxan-4-yl)propanamide
CID 166078736
ethyl 3-piperidin-4-yloxy-1-benzofuran-2-carboxylate
CID 57229796
ethyl 4-[[(2R)-oxolan-2-yl]methylamino]quinoline-3-carboxylate
CID 94374245
ethyl 3-(2-phenyloxan-4-yl)benzoate
CID 134942481
2-(2-ethyloxan-4-yl)-N-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 126833253

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[ethoxycarbonyl-[(2S,4S)-2-ethyloxan-4-yl]amino]-5-(2H-pyrrol-4-yl)furo[2,3-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-[ethoxycarbonyl-[(2S,4S)-2-ethyloxan-4-yl]amino]-5-(2H-pyrrol-4-yl)furo[2,3-c]pyridine-2-carboxylate (CID 159267100) is ethyl 3-[ethoxycarbonyl-[(2S,4S)-2-ethyloxan-4-yl]amino]-5-(2H-pyrrol-4-yl)furo[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-[ethoxycarbonyl-[(2S,4S)-2-ethyloxan-4-yl]amino]-5-(2H-pyrrol-4-yl)furo[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-[ethoxycarbonyl-[(2S,4S)-2-ethyloxan-4-yl]amino]-5-(2H-pyrrol-4-yl)furo[2,3-c]pyridine-2-carboxylate is CCOC(=O)c1oc2cnc(C3=CCN=C3)cc2c1N(C(=O)OCC)[C@H]1CCO[C@@H](CC)C1.
What is the InChIKey of ethyl 3-[ethoxycarbonyl-[(2S,4S)-2-ethyloxan-4-yl]amino]-5-(2H-pyrrol-4-yl)furo[2,3-c]pyridine-2-carboxylate?
The InChIKey is VSFHDXOPVDNLEF-IRXDYDNUSA-N. The full InChI is InChI=1S/C24H29N3O6/c1-4-17-11-16(8-10-32-17)27(24(29)31-6-3)21-18-12-19(15-7-9-25-13-15)26-14-20(18)33-22(21)23(28)30-5-2/h7,12-14,16-17H,4-6,8-11H2,1-3H3/t16-,17-/m0/s1.
What are the key properties of ethyl 3-[ethoxycarbonyl-[(2S,4S)-2-ethyloxan-4-yl]amino]-5-(2H-pyrrol-4-yl)furo[2,3-c]pyridine-2-carboxylate?
ethyl 3-[ethoxycarbonyl-[(2S,4S)-2-ethyloxan-4-yl]amino]-5-(2H-pyrrol-4-yl)furo[2,3-c]pyridine-2-carboxylate has a molecular weight of 455.51 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[ethoxycarbonyl-[(2S,4S)-2-ethyloxan-4-yl]amino]-5-(2H-pyrrol-4-yl)furo[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 159267100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).