6-(2-amino-1,3-benzoxazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide

C22H25N7O2 — CID 70798553

IUPAC6-(2-amino-1,3-benzoxazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCN1CCN(CCNC(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)CC1
InChIInChI=1S/C22H25N7O2/c1-27-8-10-28(11-9-27)7-6-24-21(30)18-13-25-20-5-3-16(14-29(18)20)15-2-4-19-17(12-15)26-22(23)31-19/h2-5,12-14H,6-11H2,1H3,(H2,23,26)(H,24,30)
InChIKeyVCCAQMQCZHPVKZ-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.70
Rot. Bonds5

About 6-(2-amino-1,3-benzoxazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide

6-(2-amino-1,3-benzoxazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 70798553) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 6-(2-amino-1,3-benzoxazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-amino-1,3-benzoxazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID70798553
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name6-(2-amino-1,3-benzoxazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCN1CCN(CCNC(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)CC1
InChIInChI=1S/C22H25N7O2/c1-27-8-10-28(11-9-27)7-6-24-21(30)18-13-25-20-5-3-16(14-29(18)20)15-2-4-19-17(12-15)26-22(23)31-19/h2-5,12-14H,6-11H2,1H3,(H2,23,26)(H,24,30)
InChIKeyVCCAQMQCZHPVKZ-UHFFFAOYSA-N
XLogP1.70
TPSA104.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-1,3-benzoxazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-(2-amino-1,3-benzoxazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 70798553) is 6-(2-amino-1,3-benzoxazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-amino-1,3-benzoxazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-amino-1,3-benzoxazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide is CN1CCN(CCNC(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)cn23)CC1.
What is the InChIKey of 6-(2-amino-1,3-benzoxazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is VCCAQMQCZHPVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-27-8-10-28(11-9-27)7-6-24-21(30)18-13-25-20-5-3-16(14-29(18)20)15-2-4-19-17(12-15)26-22(23)31-19/h2-5,12-14H,6-11H2,1H3,(H2,23,26)(H,24,30).
What are the key properties of 6-(2-amino-1,3-benzoxazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-(2-amino-1,3-benzoxazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-1,3-benzoxazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 70798553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).