6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-pyrrolidin-1-ylethyl)naphthalene-1-carboxamide

C28H27N5O2S — CID 11329471

IUPAC6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-pyrrolidin-1-ylethyl)naphthalene-1-carboxamide
SMILESCn1ccnc1-c1cc2nccc(Oc3ccc4c(C(=O)NCCN5CCCC5)cccc4c3)c2s1
InChIInChI=1S/C28H27N5O2S/c1-32-15-11-30-27(32)25-18-23-26(36-25)24(9-10-29-23)35-20-7-8-21-19(17-20)5-4-6-22(21)28(34)31-12-16-33-13-2-3-14-33/h4-11,15,17-18H,2-3,12-14,16H2,1H3,(H,31,34)
InChIKeyGLPDEXOKTNFUFI-UHFFFAOYSA-N
MW497.62 g/mol
LogP5.47
Rot. Bonds7

About 6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-pyrrolidin-1-ylethyl)naphthalene-1-carboxamide

6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-pyrrolidin-1-ylethyl)naphthalene-1-carboxamide (PubChem CID 11329471) has the molecular formula C28H27N5O2S and a molecular weight of 497.62 g/mol. Its IUPAC name is 6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-pyrrolidin-1-ylethyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-pyrrolidin-1-ylethyl)naphthalene-1-carboxamide
PubChem CID11329471
Molecular FormulaC28H27N5O2S
Molecular Weight497.62 g/mol
Exact Mass497.19
IUPAC Name6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-pyrrolidin-1-ylethyl)naphthalene-1-carboxamide
SMILESCn1ccnc1-c1cc2nccc(Oc3ccc4c(C(=O)NCCN5CCCC5)cccc4c3)c2s1
InChIInChI=1S/C28H27N5O2S/c1-32-15-11-30-27(32)25-18-23-26(36-25)24(9-10-29-23)35-20-7-8-21-19(17-20)5-4-6-22(21)28(34)31-12-16-33-13-2-3-14-33/h4-11,15,17-18H,2-3,12-14,16H2,1H3,(H,31,34)
InChIKeyGLPDEXOKTNFUFI-UHFFFAOYSA-N
XLogP5.47
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.62
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-pyrrolidin-1-ylethyl)naphthalene-1-carboxamide?
The IUPAC name of 6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-pyrrolidin-1-ylethyl)naphthalene-1-carboxamide (CID 11329471) is 6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-pyrrolidin-1-ylethyl)naphthalene-1-carboxamide.
What is the SMILES notation for 6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-pyrrolidin-1-ylethyl)naphthalene-1-carboxamide?
The canonical SMILES for 6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-pyrrolidin-1-ylethyl)naphthalene-1-carboxamide is Cn1ccnc1-c1cc2nccc(Oc3ccc4c(C(=O)NCCN5CCCC5)cccc4c3)c2s1.
What is the InChIKey of 6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-pyrrolidin-1-ylethyl)naphthalene-1-carboxamide?
The InChIKey is GLPDEXOKTNFUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2S/c1-32-15-11-30-27(32)25-18-23-26(36-25)24(9-10-29-23)35-20-7-8-21-19(17-20)5-4-6-22(21)28(34)31-12-16-33-13-2-3-14-33/h4-11,15,17-18H,2-3,12-14,16H2,1H3,(H,31,34).
What are the key properties of 6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-pyrrolidin-1-ylethyl)naphthalene-1-carboxamide?
6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-pyrrolidin-1-ylethyl)naphthalene-1-carboxamide has a molecular weight of 497.62 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-pyrrolidin-1-ylethyl)naphthalene-1-carboxamide is sourced from PubChem (CID 11329471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).