7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine

C26H31N5O2 — CID 146589043

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1noc(C)c1-c1ccn2c(NCCN3CCOCC3)c(CCc3ccccc3)nc2c1
InChIInChI=1S/C26H31N5O2/c1-19-25(20(2)33-29-19)22-10-12-31-24(18-22)28-23(9-8-21-6-4-3-5-7-21)26(31)27-11-13-30-14-16-32-17-15-30/h3-7,10,12,18,27H,8-9,11,13-17H2,1-2H3
InChIKeyTXWZQQUTJZQVIB-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.14
Rot. Bonds8

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine

7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 146589043) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID146589043
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1noc(C)c1-c1ccn2c(NCCN3CCOCC3)c(CCc3ccccc3)nc2c1
InChIInChI=1S/C26H31N5O2/c1-19-25(20(2)33-29-19)22-10-12-31-24(18-22)28-23(9-8-21-6-4-3-5-7-21)26(31)27-11-13-30-14-16-32-17-15-30/h3-7,10,12,18,27H,8-9,11,13-17H2,1-2H3
InChIKeyTXWZQQUTJZQVIB-UHFFFAOYSA-N
XLogP4.14
TPSA67.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine (CID 146589043) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine is Cc1noc(C)c1-c1ccn2c(NCCN3CCOCC3)c(CCc3ccccc3)nc2c1.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is TXWZQQUTJZQVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-19-25(20(2)33-29-19)22-10-12-31-24(18-22)28-23(9-8-21-6-4-3-5-7-21)26(31)27-11-13-30-14-16-32-17-15-30/h3-7,10,12,18,27H,8-9,11,13-17H2,1-2H3.
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 445.57 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 146589043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).