ethyl (E)-3-imidazo[1,2-a]pyridin-6-yl-2-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enoate

C30H26N3O2P — CID 10917988

IUPACethyl (E)-3-imidazo[1,2-a]pyridin-6-yl-2-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enoate
SMILESCCOC(=O)/C(=C\c1ccc2nccn2c1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H26N3O2P/c1-2-35-30(34)28(22-24-18-19-29-31-20-21-33(29)23-24)32-36(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-23H,2H2,1H3/b28-22+
InChIKeyNWEFGOBOBSISRN-XAYXJRQQSA-N
MW491.53 g/mol
LogP5.42
Rot. Bonds7

About ethyl (E)-3-imidazo[1,2-a]pyridin-6-yl-2-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enoate

ethyl (E)-3-imidazo[1,2-a]pyridin-6-yl-2-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enoate (PubChem CID 10917988) has the molecular formula C30H26N3O2P and a molecular weight of 491.53 g/mol. Its IUPAC name is ethyl (E)-3-imidazo[1,2-a]pyridin-6-yl-2-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-imidazo[1,2-a]pyridin-6-yl-2-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enoate
PubChem CID10917988
Molecular FormulaC30H26N3O2P
Molecular Weight491.53 g/mol
Exact Mass491.18
IUPAC Nameethyl (E)-3-imidazo[1,2-a]pyridin-6-yl-2-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enoate
SMILESCCOC(=O)/C(=C\c1ccc2nccn2c1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H26N3O2P/c1-2-35-30(34)28(22-24-18-19-29-31-20-21-33(29)23-24)32-36(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-23H,2H2,1H3/b28-22+
InChIKeyNWEFGOBOBSISRN-XAYXJRQQSA-N
XLogP5.42
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.53
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-imidazo[1,2-a]pyridin-6-yl-2-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enoate?
The IUPAC name of ethyl (E)-3-imidazo[1,2-a]pyridin-6-yl-2-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enoate (CID 10917988) is ethyl (E)-3-imidazo[1,2-a]pyridin-6-yl-2-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-imidazo[1,2-a]pyridin-6-yl-2-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-imidazo[1,2-a]pyridin-6-yl-2-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enoate is CCOC(=O)/C(=C\c1ccc2nccn2c1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (E)-3-imidazo[1,2-a]pyridin-6-yl-2-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enoate?
The InChIKey is NWEFGOBOBSISRN-XAYXJRQQSA-N. The full InChI is InChI=1S/C30H26N3O2P/c1-2-35-30(34)28(22-24-18-19-29-31-20-21-33(29)23-24)32-36(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-23H,2H2,1H3/b28-22+.
What are the key properties of ethyl (E)-3-imidazo[1,2-a]pyridin-6-yl-2-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enoate?
ethyl (E)-3-imidazo[1,2-a]pyridin-6-yl-2-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enoate has a molecular weight of 491.53 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-imidazo[1,2-a]pyridin-6-yl-2-[(triphenyl-λ5-phosphanylidene)amino]prop-2-enoate is sourced from PubChem (CID 10917988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).