4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide

C28H30N4O3 — CID 31190452

IUPAC4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1ccccc1[C@@H](CNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1)N1CCCC1
InChIInChI=1S/C28H30N4O3/c1-34-26-9-3-2-8-24(26)25(31-15-6-7-16-31)18-29-28(33)21-11-13-23(14-12-21)35-20-22-19-32-17-5-4-10-27(32)30-22/h2-5,8-14,17,19,25H,6-7,15-16,18,20H2,1H3,(H,29,33)/t25-/m1/s1
InChIKeyBAVVOZMCIOWDLP-RUZDIDTESA-N
MW470.57 g/mol
LogP4.49
Rot. Bonds9

About 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide

4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 31190452) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID31190452
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1ccccc1[C@@H](CNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1)N1CCCC1
InChIInChI=1S/C28H30N4O3/c1-34-26-9-3-2-8-24(26)25(31-15-6-7-16-31)18-29-28(33)21-11-13-23(14-12-21)35-20-22-19-32-17-5-4-10-27(32)30-22/h2-5,8-14,17,19,25H,6-7,15-16,18,20H2,1H3,(H,29,33)/t25-/m1/s1
InChIKeyBAVVOZMCIOWDLP-RUZDIDTESA-N
XLogP4.49
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (CID 31190452) is 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is COc1ccccc1[C@@H](CNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1)N1CCCC1.
What is the InChIKey of 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is BAVVOZMCIOWDLP-RUZDIDTESA-N. The full InChI is InChI=1S/C28H30N4O3/c1-34-26-9-3-2-8-24(26)25(31-15-6-7-16-31)18-29-28(33)21-11-13-23(14-12-21)35-20-22-19-32-17-5-4-10-27(32)30-22/h2-5,8-14,17,19,25H,6-7,15-16,18,20H2,1H3,(H,29,33)/t25-/m1/s1.
What are the key properties of 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 470.57 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 31190452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).